REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1a2f_1_A DATA FIRST_RESID 4 DATA SEQUENCE LVHVASVEKG RSYEDFQKVY NAIALKLRED DEYDNYIGYG PVLVRLAWHI DATA SEQUENCE SGTWDKHDNT GGSYGGTYRF KKEFNDPSNA GLQNGFKFLE PIHKEFPWIS DATA SEQUENCE SGDLFSLGGV TAVQEMQGPK IPWRCGRVDT PEDTTPDNGR LPDADKDAGY DATA SEQUENCE VRTFFQRLNM NDREVVALKG AHALGKTHLK NSGYEGPWGA ANNVFTNEFY DATA SEQUENCE LNLLNEDWKL EKNDANNEQW DSKSGYMMLP TDYSLIQDPK YLSIVKEYAN DATA SEQUENCE DQDKFFKDFS KAFEKLLENG ITFPKDAPSP FIFKTLEEQG L VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 L HA 0.000 nan 4.340 nan 0.000 0.249 4 L C 0.000 176.674 176.870 -0.326 0.000 1.165 4 L CA 0.000 54.706 54.840 -0.224 0.000 0.813 4 L CB 0.000 41.888 42.059 -0.285 0.000 0.961 5 V N 1.776 121.480 119.914 -0.351 0.000 2.581 5 V HA 0.305 nan 4.120 nan 0.000 0.303 5 V C -1.227 174.568 176.094 -0.497 0.000 1.041 5 V CA -1.286 60.809 62.300 -0.343 0.000 0.907 5 V CB 1.732 33.445 31.823 -0.183 0.000 0.994 5 V HN 0.052 8.077 8.190 -0.274 0.000 0.442 6 H N 4.836 123.699 119.070 -0.346 0.000 2.991 6 H HA 0.283 nan 4.556 nan 0.000 0.304 6 H C -1.372 173.597 175.328 -0.598 0.000 1.040 6 H CA -1.077 54.555 56.048 -0.692 0.000 1.410 6 H CB 1.135 30.102 29.762 -1.325 0.000 1.529 6 H HN 0.454 8.521 8.280 -0.354 0.000 0.509 7 V N 3.607 123.415 119.914 -0.178 0.000 2.498 7 V HA 0.261 nan 4.120 nan 0.000 0.279 7 V C -0.786 175.318 176.094 0.016 0.000 1.048 7 V CA -1.001 61.232 62.300 -0.111 0.000 0.967 7 V CB 0.267 32.066 31.823 -0.040 0.000 0.988 7 V HN 0.506 8.651 8.190 -0.075 0.000 0.473 8 A N 8.162 130.913 122.820 -0.114 0.000 2.454 8 A HA 0.104 nan 4.320 nan 0.000 0.260 8 A C -1.294 176.331 177.584 0.067 0.000 1.106 8 A CA 0.089 52.120 52.037 -0.010 0.000 0.780 8 A CB 0.540 19.430 19.000 -0.182 0.000 1.044 8 A HN 0.697 8.674 8.150 -0.289 0.000 0.498 9 S N 4.215 119.974 115.700 0.098 0.000 2.669 9 S HA 0.088 nan 4.470 nan 0.000 0.315 9 S C -0.579 174.089 174.600 0.112 0.000 1.106 9 S CA -0.801 57.455 58.200 0.095 0.000 1.107 9 S CB 0.849 64.104 63.200 0.092 0.000 0.990 9 S HN 0.047 8.347 8.310 0.106 0.074 0.471 10 V N 6.467 126.458 119.914 0.129 0.000 2.644 10 V HA -0.188 nan 4.120 nan 0.000 0.305 10 V C 0.163 176.383 176.094 0.210 0.000 1.053 10 V CA 0.493 62.908 62.300 0.193 0.000 1.186 10 V CB 0.144 32.084 31.823 0.195 0.000 0.895 10 V HN 0.261 8.517 8.190 0.111 0.000 0.490 11 E N 6.067 126.449 120.200 0.304 0.000 2.558 11 E HA -0.188 nan 4.350 nan 0.000 0.255 11 E C -0.368 176.317 176.600 0.142 0.000 0.968 11 E CA 0.700 57.259 56.400 0.265 0.000 0.939 11 E CB 0.467 30.431 29.700 0.441 0.000 0.921 11 E HN 0.293 8.902 8.360 0.415 0.000 0.477 12 K N 6.736 127.190 120.400 0.089 0.000 2.402 12 K HA -0.337 nan 4.320 nan 0.000 0.279 12 K C 0.427 177.006 176.600 -0.035 0.000 1.082 12 K CA 1.611 57.920 56.287 0.035 0.000 1.080 12 K CB -0.283 32.238 32.500 0.035 0.000 0.899 12 K HN 0.597 8.910 8.250 0.106 0.000 0.469 13 G N 3.687 112.472 108.800 -0.024 0.000 2.157 13 G HA2 -0.334 nan 3.960 nan 0.000 0.248 13 G HA3 -0.334 nan 3.960 nan 0.000 0.248 13 G C -0.227 174.597 174.900 -0.126 0.000 0.979 13 G CA -0.097 44.964 45.100 -0.065 0.000 0.650 13 G HN 0.225 8.527 8.290 0.020 0.000 0.529 14 R N 0.492 120.913 120.500 -0.132 0.000 2.349 14 R HA 0.322 nan 4.340 nan 0.000 0.299 14 R C -0.734 175.604 176.300 0.064 0.000 1.027 14 R CA -1.771 54.186 56.100 -0.239 0.000 0.958 14 R CB 0.733 30.726 30.300 -0.512 0.000 1.047 14 R HN -0.459 7.726 8.270 -0.052 0.054 0.468 15 S N 4.756 120.477 115.700 0.035 0.000 2.823 15 S HA 0.390 nan 4.470 nan 0.000 0.316 15 S C 0.258 174.991 174.600 0.222 0.000 1.116 15 S CA -1.368 56.967 58.200 0.225 0.000 0.911 15 S CB 1.945 65.223 63.200 0.131 0.000 1.276 15 S HN 0.086 8.605 8.310 -0.128 -0.285 0.565 16 Y N 2.269 122.516 120.300 -0.088 0.000 2.069 16 Y HA -0.491 nan 4.550 nan 0.000 0.278 16 Y C 1.185 177.014 175.900 -0.120 0.000 1.175 16 Y CA 4.096 61.898 58.100 -0.497 0.000 1.134 16 Y CB 0.002 38.181 38.460 -0.469 0.000 0.965 16 Y HN 0.420 8.855 8.280 0.257 0.000 0.498 17 E N -3.250 116.829 120.200 -0.201 0.000 2.171 17 E HA -0.442 nan 4.350 nan 0.000 0.197 17 E C 2.579 179.052 176.600 -0.211 0.000 0.997 17 E CA 3.374 59.627 56.400 -0.245 0.000 0.810 17 E CB -1.013 28.644 29.700 -0.073 0.000 0.738 17 E HN 0.313 8.699 8.360 0.042 0.000 0.467 18 D N -0.957 119.329 120.400 -0.190 0.000 2.117 18 D HA -0.205 nan 4.640 nan 0.000 0.198 18 D C 2.365 178.584 176.300 -0.135 0.000 0.982 18 D CA 3.322 57.198 54.000 -0.208 0.000 0.828 18 D CB -0.079 40.395 40.800 -0.544 0.000 0.967 18 D HN -0.402 7.847 8.370 -0.168 0.020 0.464 19 F N -0.560 119.397 119.950 0.012 0.000 2.206 19 F HA -0.178 nan 4.527 nan 0.000 0.298 19 F C 1.935 177.478 175.800 -0.428 0.000 1.090 19 F CA 2.882 60.856 58.000 -0.042 0.000 1.323 19 F CB -0.244 38.915 39.000 0.264 0.000 1.028 19 F HN -0.668 7.625 8.300 -0.012 0.000 0.492 20 Q N -0.347 119.283 119.800 -0.283 0.000 2.181 20 Q HA -0.394 nan 4.340 nan 0.000 0.205 20 Q C 2.044 177.875 176.000 -0.282 0.000 0.980 20 Q CA 3.312 58.872 55.803 -0.405 0.000 0.862 20 Q CB -0.653 27.788 28.738 -0.495 0.000 0.905 20 Q HN 0.176 8.277 8.270 -0.281 0.000 0.429 21 K N -0.804 119.458 120.400 -0.230 0.000 2.103 21 K HA -0.249 nan 4.320 nan 0.000 0.204 21 K C 2.414 178.733 176.600 -0.468 0.000 1.052 21 K CA 3.277 59.460 56.287 -0.173 0.000 0.945 21 K CB -0.150 32.365 32.500 0.026 0.000 0.722 21 K HN -0.577 7.460 8.250 -0.211 0.087 0.443 22 V N 0.562 120.018 119.914 -0.764 0.000 2.358 22 V HA -0.342 nan 4.120 nan 0.000 0.246 22 V C 1.717 177.489 176.094 -0.538 0.000 1.047 22 V CA 4.329 66.021 62.300 -1.013 0.000 1.035 22 V CB -0.998 30.314 31.823 -0.851 0.000 0.658 22 V HN -0.632 7.135 8.190 -0.551 0.093 0.452 23 Y N -0.035 119.892 120.300 -0.622 0.000 2.053 23 Y HA -0.628 nan 4.550 nan 0.000 0.277 23 Y C 1.515 177.223 175.900 -0.320 0.000 1.159 23 Y CA 3.693 61.464 58.100 -0.548 0.000 1.125 23 Y CB -0.208 37.783 38.460 -0.782 0.000 0.969 23 Y HN 0.258 8.252 8.280 -0.477 0.000 0.492 24 N N -1.177 117.575 118.700 0.086 0.000 2.137 24 N HA -0.548 nan 4.740 nan 0.000 0.190 24 N C 2.093 177.586 175.510 -0.028 0.000 1.017 24 N CA 3.085 56.175 53.050 0.067 0.000 0.859 24 N CB -0.194 38.317 38.487 0.040 0.000 1.002 24 N HN 0.103 8.510 8.380 0.045 0.000 0.428 25 A N 0.192 122.967 122.820 -0.076 0.000 1.898 25 A HA -0.212 nan 4.320 nan 0.000 0.216 25 A C 2.158 179.673 177.584 -0.114 0.000 1.181 25 A CA 2.920 54.930 52.037 -0.045 0.000 0.620 25 A CB -0.548 18.488 19.000 0.061 0.000 0.819 25 A HN -0.330 7.741 8.150 -0.132 0.000 0.442 26 I N -1.332 119.132 120.570 -0.177 0.000 2.252 26 I HA -0.551 nan 4.170 nan 0.000 0.245 26 I C 1.675 177.745 176.117 -0.079 0.000 1.102 26 I CA 3.977 65.201 61.300 -0.127 0.000 1.385 26 I CB -0.155 37.730 38.000 -0.192 0.000 1.064 26 I HN -0.292 7.779 8.210 -0.232 0.000 0.414 27 A N 0.169 122.878 122.820 -0.185 0.000 1.898 27 A HA -0.239 nan 4.320 nan 0.000 0.216 27 A C 2.012 179.589 177.584 -0.012 0.000 1.181 27 A CA 3.353 55.316 52.037 -0.123 0.000 0.620 27 A CB -0.670 18.238 19.000 -0.154 0.000 0.819 27 A HN 0.237 8.223 8.150 -0.273 0.000 0.442 28 L N -2.161 119.055 121.223 -0.012 0.000 2.083 28 L HA -0.291 nan 4.340 nan 0.000 0.209 28 L C 2.023 178.896 176.870 0.005 0.000 1.083 28 L CA 2.399 57.243 54.840 0.006 0.000 0.752 28 L CB -1.140 40.917 42.059 -0.002 0.000 0.899 28 L HN 0.029 8.240 8.230 -0.031 0.000 0.433 29 K N -0.220 120.159 120.400 -0.035 0.000 2.217 29 K HA -0.236 nan 4.320 nan 0.000 0.202 29 K C 2.499 179.200 176.600 0.168 0.000 1.051 29 K CA 3.132 59.376 56.287 -0.071 0.000 0.952 29 K CB -0.244 32.022 32.500 -0.390 0.000 0.736 29 K HN -0.688 7.524 8.250 -0.063 0.000 0.453 30 L N -1.374 120.020 121.223 0.286 0.000 2.017 30 L HA -0.390 nan 4.340 nan 0.000 0.208 30 L C 1.960 178.939 176.870 0.181 0.000 1.073 30 L CA 3.038 58.045 54.840 0.278 0.000 0.745 30 L CB -0.305 41.831 42.059 0.128 0.000 0.894 30 L HN -0.024 8.253 8.230 0.212 0.080 0.432 31 R N -2.458 118.113 120.500 0.119 0.000 2.083 31 R HA -0.334 nan 4.340 nan 0.000 0.237 31 R C 2.149 178.512 176.300 0.105 0.000 1.137 31 R CA 2.682 58.842 56.100 0.099 0.000 0.951 31 R CB 0.033 30.376 30.300 0.072 0.000 0.851 31 R HN -0.393 7.934 8.270 0.097 0.000 0.434 32 E N -1.860 118.397 120.200 0.094 0.000 2.046 32 E HA -0.183 nan 4.350 nan 0.000 0.190 32 E C 1.996 178.665 176.600 0.115 0.000 0.982 32 E CA 2.321 58.770 56.400 0.083 0.000 0.800 32 E CB 0.255 29.979 29.700 0.040 0.000 0.756 32 E HN -0.426 7.983 8.360 0.082 0.000 0.449 33 D N 0.711 121.212 120.400 0.170 0.000 3.085 33 D HA 0.162 nan 4.640 nan 0.000 0.243 33 D C 0.003 176.444 176.300 0.235 0.000 1.232 33 D CA -0.575 53.565 54.000 0.233 0.000 0.913 33 D CB -1.911 39.104 40.800 0.358 0.000 1.108 33 D HN -0.244 8.238 8.370 0.186 0.000 0.468 34 D N -1.510 118.975 120.400 0.142 0.000 2.350 34 D HA -0.302 nan 4.640 nan 0.000 0.216 34 D C 0.065 176.295 176.300 -0.117 0.000 0.968 34 D CA 2.368 56.426 54.000 0.098 0.000 0.894 34 D CB -0.363 40.532 40.800 0.158 0.000 0.909 34 D HN -0.296 8.061 8.370 0.137 0.096 0.520 35 E N -2.642 117.394 120.200 -0.275 0.000 2.435 35 E HA -0.259 nan 4.350 nan 0.000 0.195 35 E C 0.293 176.581 176.600 -0.521 0.000 1.029 35 E CA -0.179 55.718 56.400 -0.839 0.000 0.865 35 E CB -0.975 28.407 29.700 -0.531 0.000 0.833 35 E HN 0.043 8.292 8.360 -0.077 0.065 0.510 36 Y N 4.186 124.270 120.300 -0.360 0.000 2.702 36 Y HA -0.329 nan 4.550 nan 0.000 0.336 36 Y C -1.092 174.620 175.900 -0.313 0.000 1.235 36 Y CA 1.792 59.662 58.100 -0.382 0.000 1.492 36 Y CB 0.430 38.432 38.460 -0.763 0.000 1.308 36 Y HN -0.981 7.233 8.280 -0.027 0.050 0.589 37 D N 6.717 126.538 120.400 -0.966 0.000 2.737 37 D HA -0.461 nan 4.640 nan 0.000 0.238 37 D C -0.841 175.290 176.300 -0.283 0.000 1.157 37 D CA 1.120 54.705 54.000 -0.691 0.000 0.694 37 D CB -0.880 39.417 40.800 -0.840 0.000 1.021 37 D HN 0.497 8.305 8.370 -0.936 0.000 0.420 38 N N -2.620 115.976 118.700 -0.174 0.000 2.725 38 N HA -0.410 nan 4.740 nan 0.000 0.251 38 N C -0.918 174.682 175.510 0.150 0.000 1.031 38 N CA 1.265 54.330 53.050 0.024 0.000 0.720 38 N CB -1.124 37.386 38.487 0.038 0.000 0.930 38 N HN 0.498 8.757 8.380 -0.201 0.000 0.543 39 Y N -9.316 110.963 120.300 -0.035 0.000 4.490 39 Y HA -0.482 nan 4.550 nan 0.000 0.233 39 Y C 0.236 176.142 175.900 0.011 0.000 1.101 39 Y CA 1.418 59.520 58.100 0.004 0.000 2.010 39 Y CB -2.113 36.357 38.460 0.015 0.000 1.622 39 Y HN -0.361 7.590 8.280 -0.401 0.089 0.675 40 I N -2.600 117.990 120.570 0.034 0.000 2.406 40 I HA -0.276 nan 4.170 nan 0.000 0.249 40 I C 0.641 176.793 176.117 0.057 0.000 1.122 40 I CA 1.753 63.081 61.300 0.047 0.000 1.431 40 I CB 0.617 38.626 38.000 0.015 0.000 1.087 40 I HN -0.778 7.348 8.210 -0.038 0.062 0.424 41 G N -2.644 106.176 108.800 0.033 0.000 2.710 41 G HA2 -0.259 nan 3.960 nan 0.000 0.668 41 G HA3 -0.259 nan 3.960 nan 0.000 0.668 41 G C -0.805 174.154 174.900 0.098 0.000 1.320 41 G CA -0.657 44.493 45.100 0.084 0.000 0.860 41 G HN -0.533 7.734 8.290 -0.039 0.000 0.538 42 Y N -0.331 119.952 120.300 -0.028 0.000 2.490 42 Y HA -0.051 nan 4.550 nan 0.000 0.281 42 Y C 1.297 177.034 175.900 -0.271 0.000 1.174 42 Y CA 1.238 59.165 58.100 -0.288 0.000 1.295 42 Y CB -0.261 37.670 38.460 -0.882 0.000 1.062 42 Y HN 0.466 8.883 8.280 0.228 0.000 0.522 43 G N 0.570 109.355 108.800 -0.025 0.000 2.491 43 G HA2 -0.316 nan 3.960 nan 0.000 0.218 43 G HA3 -0.316 nan 3.960 nan 0.000 0.218 43 G C -1.297 173.610 174.900 0.011 0.000 1.180 43 G CA 2.384 47.466 45.100 -0.030 0.000 0.774 43 G HN 0.623 8.873 8.290 0.020 0.053 0.562 44 P HA -0.214 nan 4.420 nan 0.000 0.215 44 P C 0.866 178.225 177.300 0.098 0.000 1.157 44 P CA 2.808 65.961 63.100 0.089 0.000 0.868 44 P CB -0.543 31.228 31.700 0.119 0.000 0.788 45 V N -3.427 116.547 119.914 0.100 0.000 2.626 45 V HA -0.267 nan 4.120 nan 0.000 0.252 45 V C 1.585 177.691 176.094 0.021 0.000 1.067 45 V CA 2.793 65.141 62.300 0.079 0.000 1.081 45 V CB -0.602 31.286 31.823 0.109 0.000 0.686 45 V HN -0.197 8.063 8.190 0.116 0.000 0.468 46 L N -1.220 119.993 121.223 -0.016 0.000 2.109 46 L HA -0.287 nan 4.340 nan 0.000 0.207 46 L C 1.838 178.747 176.870 0.066 0.000 1.086 46 L CA 3.289 58.114 54.840 -0.025 0.000 0.760 46 L CB -0.571 41.423 42.059 -0.108 0.000 0.910 46 L HN -0.462 7.725 8.230 -0.033 0.023 0.437 47 V N -1.310 118.665 119.914 0.101 0.000 2.667 47 V HA -0.350 nan 4.120 nan 0.000 0.252 47 V C 1.278 177.539 176.094 0.279 0.000 1.065 47 V CA 3.307 65.733 62.300 0.211 0.000 1.083 47 V CB -0.746 31.150 31.823 0.121 0.000 0.692 47 V HN 0.004 8.232 8.190 0.064 0.000 0.468 48 R N 0.580 121.203 120.500 0.205 0.000 2.081 48 R HA -0.310 nan 4.340 nan 0.000 0.235 48 R C 1.804 178.149 176.300 0.076 0.000 1.131 48 R CA 3.418 59.663 56.100 0.243 0.000 0.960 48 R CB -0.081 30.286 30.300 0.112 0.000 0.856 48 R HN -0.376 7.982 8.270 0.146 0.000 0.436 49 L N -0.738 120.462 121.223 -0.039 0.000 2.017 49 L HA -0.327 nan 4.340 nan 0.000 0.208 49 L C 1.134 177.958 176.870 -0.076 0.000 1.073 49 L CA 3.126 57.854 54.840 -0.187 0.000 0.745 49 L CB -0.519 41.419 42.059 -0.201 0.000 0.894 49 L HN -0.019 8.205 8.230 -0.010 0.000 0.432 50 A N -1.163 121.717 122.820 0.099 0.000 1.940 50 A HA -0.348 nan 4.320 nan 0.000 0.219 50 A C 1.581 179.304 177.584 0.232 0.000 1.176 50 A CA 3.000 55.140 52.037 0.172 0.000 0.631 50 A CB -0.954 18.202 19.000 0.260 0.000 0.814 50 A HN -0.303 7.926 8.150 0.133 0.000 0.446 51 W N -1.389 120.046 121.300 0.226 0.000 2.379 51 W HA -0.436 nan 4.660 nan 0.000 0.307 51 W C 1.535 178.205 176.519 0.251 0.000 1.200 51 W CA 3.104 60.612 57.345 0.271 0.000 1.297 51 W CB 0.067 29.733 29.460 0.344 0.000 1.140 51 W HN -0.365 8.129 8.180 0.524 0.000 0.507 52 H N -0.905 117.814 119.070 -0.585 0.000 2.423 52 H HA -0.337 nan 4.556 nan 0.000 0.297 52 H C 2.388 177.492 175.328 -0.373 0.000 1.075 52 H CA 3.230 58.874 56.048 -0.674 0.000 1.342 52 H CB 0.924 30.387 29.762 -0.498 0.000 1.395 52 H HN -0.384 7.866 8.280 -0.050 0.000 0.530 53 I N -5.268 115.216 120.570 -0.144 0.000 2.676 53 I HA -0.225 nan 4.170 nan 0.000 0.259 53 I C 0.314 176.444 176.117 0.020 0.000 1.194 53 I CA 2.115 63.386 61.300 -0.048 0.000 1.473 53 I CB -0.256 37.744 38.000 -0.001 0.000 1.096 53 I HN -0.327 7.793 8.210 -0.149 0.000 0.443 54 S N -0.307 115.399 115.700 0.009 0.000 2.458 54 S HA 0.004 nan 4.470 nan 0.000 0.223 54 S C 2.089 176.732 174.600 0.072 0.000 1.019 54 S CA 3.193 61.426 58.200 0.055 0.000 0.937 54 S CB 0.516 63.772 63.200 0.093 0.000 0.788 54 S HN -0.735 7.539 8.310 -0.010 0.031 0.511 55 G N 0.138 108.880 108.800 -0.096 0.000 2.848 55 G HA2 -0.031 nan 3.960 nan 0.000 0.208 55 G HA3 -0.031 nan 3.960 nan 0.000 0.208 55 G C -0.461 174.409 174.900 -0.049 0.000 1.152 55 G CA 1.576 46.590 45.100 -0.143 0.000 0.789 55 G HN 0.130 8.181 8.290 -0.238 0.097 0.531 56 T N -2.864 111.681 114.554 -0.015 0.000 3.148 56 T HA -0.033 nan 4.350 nan 0.000 0.253 56 T C 0.037 174.802 174.700 0.109 0.000 1.134 56 T CA -0.933 61.186 62.100 0.032 0.000 1.051 56 T CB -0.800 68.096 68.868 0.046 0.000 0.959 56 T HN -0.393 7.769 8.240 -0.025 0.063 0.525 57 W N 2.441 123.719 121.300 -0.036 0.000 2.181 57 W HA -0.160 nan 4.660 nan 0.000 0.335 57 W C -1.874 174.602 176.519 -0.072 0.000 1.310 57 W CA 0.718 58.046 57.345 -0.028 0.000 1.226 57 W CB 0.623 30.077 29.460 -0.010 0.000 1.155 57 W HN -0.715 7.577 8.180 0.288 0.061 0.565 58 D N 8.001 127.986 120.400 -0.693 0.000 2.440 58 D HA 0.316 nan 4.640 nan 0.000 0.239 58 D C 0.285 175.751 176.300 -1.391 0.000 1.084 58 D CA -1.782 51.725 54.000 -0.820 0.000 0.843 58 D CB 1.962 42.532 40.800 -0.382 0.000 1.097 58 D HN 0.250 8.286 8.370 -0.557 0.000 0.531 59 K N 6.217 125.620 120.400 -1.663 0.000 2.281 59 K HA -0.335 nan 4.320 nan 0.000 0.203 59 K C 1.161 177.344 176.600 -0.695 0.000 1.046 59 K CA 2.143 57.602 56.287 -1.381 0.000 0.938 59 K CB -0.197 31.755 32.500 -0.914 0.000 0.737 59 K HN 0.442 7.830 8.250 -1.437 0.000 0.458 60 H N -0.944 117.892 119.070 -0.391 0.000 2.395 60 H HA -0.119 nan 4.556 nan 0.000 0.299 60 H C 1.099 176.325 175.328 -0.170 0.000 1.070 60 H CA 1.936 57.852 56.048 -0.220 0.000 1.356 60 H CB 0.416 30.070 29.762 -0.181 0.000 1.401 60 H HN -0.184 7.864 8.280 -0.770 -0.229 0.524 61 D N -5.425 114.924 120.400 -0.085 0.000 2.503 61 D HA -0.004 nan 4.640 nan 0.000 0.218 61 D C -0.043 176.216 176.300 -0.068 0.000 1.183 61 D CA -0.957 53.006 54.000 -0.062 0.000 0.827 61 D CB 0.193 40.969 40.800 -0.040 0.000 1.034 61 D HN -0.613 7.658 8.370 -0.165 0.000 0.510 62 N N -1.902 116.732 118.700 -0.110 0.000 2.741 62 N HA -0.458 nan 4.740 nan 0.000 0.251 62 N C -0.990 174.634 175.510 0.191 0.000 1.112 62 N CA 1.239 54.339 53.050 0.083 0.000 0.750 62 N CB -0.898 37.633 38.487 0.073 0.000 1.119 62 N HN -0.230 8.006 8.380 -0.239 0.000 0.561 63 T N -6.211 108.377 114.554 0.057 0.000 2.874 63 T HA 0.324 nan 4.350 nan 0.000 0.281 63 T C -0.342 174.479 174.700 0.203 0.000 0.994 63 T CA -1.315 60.873 62.100 0.146 0.000 1.015 63 T CB 2.070 70.974 68.868 0.060 0.000 1.028 63 T HN -0.696 7.737 8.240 -0.079 -0.241 0.523 64 G N 3.215 112.152 108.800 0.228 0.000 2.645 64 G HA2 -0.473 nan 3.960 nan 0.000 0.239 64 G HA3 -0.473 nan 3.960 nan 0.000 0.239 64 G C -0.722 174.377 174.900 0.331 0.000 1.331 64 G CA -0.263 44.978 45.100 0.235 0.000 0.890 64 G HN 0.361 8.777 8.290 0.209 0.000 0.572 65 G N -1.426 107.539 108.800 0.275 0.000 2.712 65 G HA2 -0.301 nan 3.960 nan 0.000 0.683 65 G HA3 -0.301 nan 3.960 nan 0.000 0.683 65 G C 0.566 175.528 174.900 0.104 0.000 1.320 65 G CA -0.441 44.764 45.100 0.175 0.000 0.847 65 G HN -0.154 8.270 8.290 0.222 0.000 0.553 66 S N 0.738 116.471 115.700 0.055 0.000 2.481 66 S HA -0.295 nan 4.470 nan 0.000 0.231 66 S C 1.471 176.132 174.600 0.102 0.000 0.996 66 S CA 2.743 60.999 58.200 0.094 0.000 0.942 66 S CB 0.226 63.470 63.200 0.073 0.000 0.768 66 S HN 0.522 8.826 8.310 -0.009 0.000 0.520 67 Y N 4.136 124.375 120.300 -0.101 0.000 2.081 67 Y HA -0.410 nan 4.550 nan 0.000 0.280 67 Y C 0.532 176.386 175.900 -0.077 0.000 1.163 67 Y CA 3.193 61.201 58.100 -0.154 0.000 1.135 67 Y CB -0.101 38.132 38.460 -0.378 0.000 0.970 67 Y HN 0.036 8.324 8.280 0.094 0.049 0.498 68 G N -6.736 102.103 108.800 0.065 0.000 2.813 68 G HA2 -0.094 nan 3.960 nan 0.000 0.209 68 G HA3 -0.094 nan 3.960 nan 0.000 0.209 68 G C 0.018 174.969 174.900 0.086 0.000 1.150 68 G CA -0.314 44.825 45.100 0.065 0.000 0.785 68 G HN -0.029 8.341 8.290 0.134 0.000 0.535 69 G N 0.067 108.941 108.800 0.125 0.000 2.305 69 G HA2 -0.470 nan 3.960 nan 0.000 0.287 69 G HA3 -0.470 nan 3.960 nan 0.000 0.287 69 G C 0.493 175.546 174.900 0.254 0.000 1.036 69 G CA 1.041 46.271 45.100 0.217 0.000 0.887 69 G HN -0.456 7.836 8.290 0.113 0.066 0.505 70 T N -3.642 111.084 114.554 0.287 0.000 3.113 70 T HA -0.264 nan 4.350 nan 0.000 0.263 70 T C 1.071 175.955 174.700 0.307 0.000 1.143 70 T CA 1.524 63.835 62.100 0.352 0.000 1.090 70 T CB -0.854 68.267 68.868 0.421 0.000 0.922 70 T HN 0.218 8.608 8.240 0.278 0.016 0.521 71 Y N 4.045 124.450 120.300 0.175 0.000 2.384 71 Y HA -0.367 nan 4.550 nan 0.000 0.289 71 Y C -0.031 175.894 175.900 0.043 0.000 1.152 71 Y CA 1.243 59.393 58.100 0.082 0.000 1.258 71 Y CB -0.667 37.730 38.460 -0.105 0.000 0.979 71 Y HN -0.502 8.000 8.280 0.437 0.040 0.549 72 R N -2.048 118.392 120.500 -0.099 0.000 2.193 72 R HA -0.277 nan 4.340 nan 0.000 0.229 72 R C 0.721 176.728 176.300 -0.489 0.000 1.110 72 R CA 1.604 57.502 56.100 -0.337 0.000 0.988 72 R CB -0.209 29.943 30.300 -0.247 0.000 0.871 72 R HN -0.822 7.488 8.270 0.130 0.038 0.458 73 F N -0.776 119.126 119.950 -0.081 0.000 2.384 73 F HA 0.138 nan 4.527 nan 0.000 0.338 73 F C 0.882 176.631 175.800 -0.085 0.000 1.103 73 F CA -0.948 57.007 58.000 -0.076 0.000 1.157 73 F CB 0.216 39.217 39.000 0.001 0.000 1.167 73 F HN -0.496 7.524 8.300 -0.199 0.160 0.529 74 K N 4.420 124.891 120.400 0.119 0.000 2.052 74 K HA -0.527 nan 4.320 nan 0.000 0.215 74 K C 1.878 178.548 176.600 0.118 0.000 1.053 74 K CA 4.234 60.567 56.287 0.076 0.000 0.934 74 K CB -0.719 31.815 32.500 0.057 0.000 0.717 74 K HN 0.790 9.130 8.250 0.151 0.000 0.450 75 K N -2.032 118.435 120.400 0.112 0.000 2.044 75 K HA -0.366 nan 4.320 nan 0.000 0.210 75 K C 1.314 177.982 176.600 0.113 0.000 1.049 75 K CA 3.337 59.682 56.287 0.096 0.000 0.927 75 K CB -0.217 32.328 32.500 0.075 0.000 0.713 75 K HN 0.011 8.330 8.250 0.114 0.000 0.443 76 E N -2.808 117.482 120.200 0.150 0.000 2.112 76 E HA -0.186 nan 4.350 nan 0.000 0.190 76 E C 2.616 179.315 176.600 0.164 0.000 0.979 76 E CA 2.034 58.537 56.400 0.171 0.000 0.814 76 E CB 0.255 30.092 29.700 0.229 0.000 0.762 76 E HN -0.689 7.778 8.360 0.178 0.000 0.460 77 F N 0.788 120.644 119.950 -0.157 0.000 2.126 77 F HA -0.333 nan 4.527 nan 0.000 0.299 77 F C 0.425 176.167 175.800 -0.097 0.000 1.096 77 F CA 3.351 61.134 58.000 -0.362 0.000 1.255 77 F CB 0.343 38.997 39.000 -0.576 0.000 0.997 77 F HN -0.013 8.366 8.300 0.131 0.000 0.479 78 N N -3.387 115.360 118.700 0.078 0.000 2.370 78 N HA -0.015 nan 4.740 nan 0.000 0.198 78 N C -1.161 174.367 175.510 0.030 0.000 1.156 78 N CA 0.228 53.299 53.050 0.036 0.000 0.839 78 N CB 0.353 38.894 38.487 0.090 0.000 0.989 78 N HN -0.315 8.162 8.380 0.162 0.000 0.468 79 D N 2.636 123.062 120.400 0.043 0.000 2.472 79 D HA 0.074 nan 4.640 nan 0.000 0.248 79 D C -0.150 176.173 176.300 0.039 0.000 1.174 79 D CA -1.461 52.569 54.000 0.051 0.000 0.883 79 D CB 0.637 41.479 40.800 0.069 0.000 1.149 79 D HN -0.660 7.562 8.370 0.059 0.184 0.488 80 P HA -0.266 nan 4.420 nan 0.000 0.218 80 P C 1.348 178.686 177.300 0.064 0.000 1.154 80 P CA 2.449 65.575 63.100 0.044 0.000 0.872 80 P CB 0.218 31.945 31.700 0.044 0.000 0.790 81 S N -3.143 112.602 115.700 0.076 0.000 2.469 81 S HA -0.307 nan 4.470 nan 0.000 0.238 81 S C 0.783 175.499 174.600 0.193 0.000 0.998 81 S CA 3.050 61.321 58.200 0.118 0.000 0.957 81 S CB -0.484 62.749 63.200 0.055 0.000 0.764 81 S HN -0.302 8.275 8.310 0.062 -0.229 0.514 82 N N -0.124 118.652 118.700 0.126 0.000 2.280 82 N HA 0.057 nan 4.740 nan 0.000 0.192 82 N C -1.343 174.158 175.510 -0.014 0.000 1.109 82 N CA -0.772 52.332 53.050 0.090 0.000 0.855 82 N CB 0.341 38.885 38.487 0.096 0.000 0.974 82 N HN -0.113 8.131 8.380 0.082 0.185 0.482 83 A N -0.675 122.148 122.820 0.005 0.000 2.566 83 A HA -0.247 nan 4.320 nan 0.000 0.245 83 A C 0.414 177.983 177.584 -0.025 0.000 1.056 83 A CA 1.906 53.932 52.037 -0.019 0.000 0.757 83 A CB -0.591 18.420 19.000 0.018 0.000 0.979 83 A HN -0.347 7.763 8.150 0.044 0.066 0.508 84 G N 3.492 112.263 108.800 -0.049 0.000 2.258 84 G HA2 -0.421 nan 3.960 nan 0.000 0.233 84 G HA3 -0.421 nan 3.960 nan 0.000 0.233 84 G C 1.192 176.072 174.900 -0.033 0.000 1.006 84 G CA 0.802 45.877 45.100 -0.043 0.000 0.620 84 G HN 0.429 8.922 8.290 -0.066 -0.242 0.511 85 L N 1.586 122.763 121.223 -0.075 0.000 2.376 85 L HA -0.334 nan 4.340 nan 0.000 0.219 85 L C 0.834 177.732 176.870 0.047 0.000 1.133 85 L CA 1.983 56.779 54.840 -0.074 0.000 0.816 85 L CB -0.566 41.365 42.059 -0.214 0.000 0.933 85 L HN -0.214 7.878 8.230 -0.098 0.079 0.449 86 Q N -1.232 118.569 119.800 0.002 0.000 2.234 86 Q HA -0.409 nan 4.340 nan 0.000 0.206 86 Q C 2.239 178.404 176.000 0.275 0.000 0.980 86 Q CA 3.493 59.382 55.803 0.143 0.000 0.869 86 Q CB -0.976 27.797 28.738 0.059 0.000 0.912 86 Q HN 0.508 8.678 8.270 -0.100 0.040 0.436 87 N N -0.072 118.739 118.700 0.185 0.000 2.142 87 N HA -0.236 nan 4.740 nan 0.000 0.186 87 N C 2.199 177.824 175.510 0.192 0.000 1.023 87 N CA 2.909 56.077 53.050 0.196 0.000 0.852 87 N CB -0.548 38.037 38.487 0.163 0.000 0.998 87 N HN -0.581 7.844 8.380 0.123 0.029 0.424 88 G N -0.173 108.717 108.800 0.150 0.000 2.403 88 G HA2 -0.228 nan 3.960 nan 0.000 0.216 88 G HA3 -0.228 nan 3.960 nan 0.000 0.216 88 G C 1.019 176.054 174.900 0.224 0.000 1.154 88 G CA 1.596 46.758 45.100 0.104 0.000 0.784 88 G HN -0.291 7.979 8.290 0.124 0.095 0.538 89 F N 2.886 122.943 119.950 0.179 0.000 2.069 89 F HA -0.348 nan 4.527 nan 0.000 0.298 89 F C 1.225 177.154 175.800 0.215 0.000 1.113 89 F CA 3.021 61.190 58.000 0.282 0.000 1.214 89 F CB 0.306 39.579 39.000 0.456 0.000 0.978 89 F HN -0.243 8.314 8.300 0.429 0.000 0.474 90 K N -2.641 117.919 120.400 0.268 0.000 2.147 90 K HA -0.420 nan 4.320 nan 0.000 0.205 90 K C 1.867 178.446 176.600 -0.035 0.000 1.049 90 K CA 2.807 59.142 56.287 0.080 0.000 0.936 90 K CB -0.214 32.384 32.500 0.164 0.000 0.722 90 K HN -0.164 8.350 8.250 0.440 0.000 0.446 91 F N -1.270 118.534 119.950 -0.244 0.000 2.102 91 F HA -0.295 nan 4.527 nan 0.000 0.298 91 F C 0.917 176.540 175.800 -0.295 0.000 1.105 91 F CA 2.868 60.607 58.000 -0.434 0.000 1.239 91 F CB 0.698 39.270 39.000 -0.714 0.000 0.991 91 F HN -0.707 7.656 8.300 0.105 0.000 0.474 92 L N -3.604 117.634 121.223 0.024 0.000 2.341 92 L HA -0.297 nan 4.340 nan 0.000 0.214 92 L C 1.572 178.329 176.870 -0.189 0.000 1.115 92 L CA 1.708 56.515 54.840 -0.055 0.000 0.820 92 L CB -0.327 41.783 42.059 0.085 0.000 0.944 92 L HN -0.456 7.761 8.230 0.115 0.082 0.452 93 E N 0.664 120.700 120.200 -0.274 0.000 2.070 93 E HA -0.264 nan 4.350 nan 0.000 0.197 93 E C -1.025 175.467 176.600 -0.180 0.000 1.004 93 E CA 5.495 61.728 56.400 -0.278 0.000 0.805 93 E CB -1.578 27.900 29.700 -0.370 0.000 0.744 93 E HN -0.286 7.869 8.360 -0.293 0.029 0.451 94 P HA -0.183 nan 4.420 nan 0.000 0.218 94 P C 1.476 178.690 177.300 -0.143 0.000 1.148 94 P CA 2.618 65.614 63.100 -0.173 0.000 0.822 94 P CB -0.533 31.044 31.700 -0.205 0.000 0.784 95 I N -1.765 118.718 120.570 -0.145 0.000 2.353 95 I HA -0.454 nan 4.170 nan 0.000 0.248 95 I C 1.534 177.681 176.117 0.050 0.000 1.119 95 I CA 3.632 64.905 61.300 -0.045 0.000 1.417 95 I CB -0.189 37.739 38.000 -0.120 0.000 1.078 95 I HN -0.715 7.266 8.210 -0.207 0.105 0.421 96 H N 0.837 119.819 119.070 -0.146 0.000 2.389 96 H HA -0.321 nan 4.556 nan 0.000 0.299 96 H C 1.625 176.857 175.328 -0.160 0.000 1.081 96 H CA 2.676 58.623 56.048 -0.169 0.000 1.345 96 H CB 0.396 30.038 29.762 -0.201 0.000 1.393 96 H HN -0.379 7.889 8.280 -0.020 0.000 0.520 97 K N -2.900 117.447 120.400 -0.088 0.000 2.103 97 K HA -0.207 nan 4.320 nan 0.000 0.207 97 K C 1.146 177.642 176.600 -0.173 0.000 1.048 97 K CA 1.532 57.730 56.287 -0.148 0.000 0.930 97 K CB -0.127 32.291 32.500 -0.136 0.000 0.716 97 K HN -0.389 7.819 8.250 -0.071 0.000 0.444 98 E N -1.807 118.276 120.200 -0.196 0.000 2.152 98 E HA -0.189 nan 4.350 nan 0.000 0.192 98 E C 0.140 176.369 176.600 -0.618 0.000 0.983 98 E CA 2.194 58.352 56.400 -0.404 0.000 0.818 98 E CB 0.956 30.372 29.700 -0.472 0.000 0.758 98 E HN -0.660 7.520 8.360 -0.132 0.101 0.467 99 F N -3.040 116.788 119.950 -0.204 0.000 2.531 99 F HA 0.473 nan 4.527 nan 0.000 0.333 99 F C -2.289 173.198 175.800 -0.521 0.000 1.292 99 F CA -2.909 54.847 58.000 -0.406 0.000 1.184 99 F CB -0.151 38.486 39.000 -0.605 0.000 1.426 99 F HN -0.487 7.800 8.300 -0.022 0.000 0.559 100 P HA -0.137 nan 4.420 nan 0.000 0.226 100 P C -0.285 176.968 177.300 -0.078 0.000 1.153 100 P CA 1.548 64.535 63.100 -0.188 0.000 0.777 100 P CB -0.289 31.340 31.700 -0.118 0.000 0.794 101 W N -5.932 115.395 121.300 0.046 0.000 2.467 101 W HA -0.110 nan 4.660 nan 0.000 0.275 101 W C -0.535 176.048 176.519 0.106 0.000 1.239 101 W CA -1.145 56.231 57.345 0.052 0.000 1.266 101 W CB -0.538 28.939 29.460 0.028 0.000 1.112 101 W HN -0.585 7.511 8.180 -0.048 0.056 0.576 102 I N 2.426 122.851 120.570 -0.242 0.000 2.588 102 I HA -0.010 nan 4.170 nan 0.000 0.283 102 I C -0.451 175.723 176.117 0.094 0.000 1.119 102 I CA -0.177 61.056 61.300 -0.111 0.000 1.419 102 I CB 1.458 39.123 38.000 -0.557 0.000 1.394 102 I HN -0.807 6.924 8.210 -0.741 0.034 0.562 103 S N 7.083 122.851 115.700 0.114 0.000 2.600 103 S HA 0.125 nan 4.470 nan 0.000 0.265 103 S C 1.370 175.876 174.600 -0.157 0.000 1.325 103 S CA -0.102 58.113 58.200 0.025 0.000 1.002 103 S CB 0.970 64.167 63.200 -0.005 0.000 0.921 103 S HN 0.166 8.906 8.310 0.202 -0.309 0.554 104 S N 4.214 119.780 115.700 -0.224 0.000 2.353 104 S HA -0.383 nan 4.470 nan 0.000 0.222 104 S C 2.112 176.288 174.600 -0.705 0.000 1.035 104 S CA 4.639 62.469 58.200 -0.618 0.000 1.025 104 S CB -0.347 62.569 63.200 -0.472 0.000 0.902 104 S HN 0.295 8.934 8.310 -0.101 -0.389 0.440 105 G N 0.092 108.737 108.800 -0.258 0.000 2.469 105 G HA2 -0.381 nan 3.960 nan 0.000 0.219 105 G HA3 -0.381 nan 3.960 nan 0.000 0.219 105 G C 0.901 175.826 174.900 0.041 0.000 1.150 105 G CA 2.145 47.230 45.100 -0.025 0.000 0.763 105 G HN -0.292 7.883 8.290 -0.191 0.000 0.561 106 D N 2.387 122.812 120.400 0.041 0.000 2.117 106 D HA -0.168 nan 4.640 nan 0.000 0.197 106 D C 2.181 178.586 176.300 0.175 0.000 0.987 106 D CA 3.041 57.214 54.000 0.288 0.000 0.829 106 D CB -0.223 40.796 40.800 0.365 0.000 0.961 106 D HN -0.770 7.581 8.370 -0.032 0.000 0.460 107 L N 0.334 121.468 121.223 -0.148 0.000 2.056 107 L HA -0.295 nan 4.340 nan 0.000 0.207 107 L C 1.572 178.408 176.870 -0.056 0.000 1.078 107 L CA 3.377 58.063 54.840 -0.256 0.000 0.749 107 L CB -0.210 41.498 42.059 -0.584 0.000 0.901 107 L HN -0.249 7.741 8.230 -0.276 0.074 0.433 108 F N -2.388 117.561 119.950 -0.001 0.000 2.134 108 F HA -0.373 nan 4.527 nan 0.000 0.299 108 F C 2.199 178.031 175.800 0.052 0.000 1.097 108 F CA 1.864 59.889 58.000 0.042 0.000 1.264 108 F CB -1.215 37.834 39.000 0.082 0.000 1.001 108 F HN 0.512 8.604 8.300 -0.347 0.000 0.479 109 S N -0.710 115.165 115.700 0.291 0.000 2.395 109 S HA -0.219 nan 4.470 nan 0.000 0.225 109 S C 1.981 176.678 174.600 0.162 0.000 1.027 109 S CA 3.085 61.438 58.200 0.255 0.000 0.965 109 S CB -0.166 63.243 63.200 0.349 0.000 0.812 109 S HN -0.221 8.266 8.310 0.295 0.000 0.482 110 L N 2.608 123.833 121.223 0.003 0.000 2.131 110 L HA -0.176 nan 4.340 nan 0.000 0.210 110 L C 1.535 178.270 176.870 -0.224 0.000 1.092 110 L CA 2.167 56.750 54.840 -0.429 0.000 0.759 110 L CB -0.607 41.010 42.059 -0.736 0.000 0.903 110 L HN -0.069 8.232 8.230 0.118 0.000 0.435 111 G N -2.186 106.559 108.800 -0.090 0.000 2.469 111 G HA2 -0.449 nan 3.960 nan 0.000 0.219 111 G HA3 -0.449 nan 3.960 nan 0.000 0.219 111 G C 0.930 175.822 174.900 -0.013 0.000 1.150 111 G CA 2.604 47.672 45.100 -0.054 0.000 0.763 111 G HN 0.443 8.711 8.290 -0.035 0.000 0.561 112 G N 0.981 109.837 108.800 0.094 0.000 2.433 112 G HA2 -0.323 nan 3.960 nan 0.000 0.216 112 G HA3 -0.323 nan 3.960 nan 0.000 0.216 112 G C 1.077 176.136 174.900 0.265 0.000 1.186 112 G CA 1.848 47.095 45.100 0.245 0.000 0.779 112 G HN -0.718 7.634 8.290 0.104 0.000 0.543 113 V N 2.555 122.591 119.914 0.205 0.000 2.287 113 V HA -0.464 nan 4.120 nan 0.000 0.248 113 V C 2.392 178.527 176.094 0.068 0.000 1.053 113 V CA 4.318 66.735 62.300 0.195 0.000 1.027 113 V CB -0.734 31.175 31.823 0.144 0.000 0.646 113 V HN -0.289 7.978 8.190 0.128 0.000 0.447 114 T N 0.711 115.190 114.554 -0.125 0.000 2.746 114 T HA -0.317 nan 4.350 nan 0.000 0.267 114 T C 1.420 175.977 174.700 -0.239 0.000 1.039 114 T CA 4.890 66.741 62.100 -0.415 0.000 1.142 114 T CB -0.667 67.761 68.868 -0.734 0.000 0.866 114 T HN 0.155 8.297 8.240 -0.162 0.000 0.444 115 A N 1.111 123.847 122.820 -0.141 0.000 1.865 115 A HA -0.275 nan 4.320 nan 0.000 0.217 115 A C 1.698 179.233 177.584 -0.082 0.000 1.191 115 A CA 3.347 55.330 52.037 -0.090 0.000 0.623 115 A CB -0.919 18.050 19.000 -0.053 0.000 0.826 115 A HN -0.137 7.941 8.150 -0.120 0.000 0.444 116 V N -1.079 118.766 119.914 -0.114 0.000 2.295 116 V HA -0.543 nan 4.120 nan 0.000 0.246 116 V C 2.403 178.341 176.094 -0.259 0.000 1.049 116 V CA 4.631 66.757 62.300 -0.290 0.000 1.024 116 V CB -0.975 30.578 31.823 -0.451 0.000 0.648 116 V HN -0.375 7.779 8.190 -0.060 0.000 0.447 117 Q N -1.990 117.743 119.800 -0.111 0.000 2.119 117 Q HA -0.314 nan 4.340 nan 0.000 0.201 117 Q C 3.184 179.198 176.000 0.025 0.000 0.972 117 Q CA 3.231 59.022 55.803 -0.020 0.000 0.847 117 Q CB -0.223 28.613 28.738 0.163 0.000 0.903 117 Q HN -0.344 7.892 8.270 -0.057 0.000 0.433 118 E N -0.334 119.876 120.200 0.016 0.000 2.274 118 E HA -0.185 nan 4.350 nan 0.000 0.194 118 E C 1.331 177.948 176.600 0.029 0.000 0.996 118 E CA 1.767 58.184 56.400 0.028 0.000 0.840 118 E CB -0.200 29.489 29.700 -0.018 0.000 0.772 118 E HN -0.182 8.164 8.360 -0.023 0.000 0.491 119 M N -1.369 118.237 119.600 0.011 0.000 2.652 119 M HA 0.052 nan 4.480 nan 0.000 0.226 119 M C -1.312 175.036 176.300 0.079 0.000 1.244 119 M CA 0.306 55.636 55.300 0.050 0.000 0.986 119 M CB -0.421 32.217 32.600 0.063 0.000 1.666 119 M HN -0.248 8.028 8.290 -0.023 0.000 0.460 120 Q N -5.208 114.626 119.800 0.057 0.000 2.481 120 Q HA -0.417 nan 4.340 nan 0.000 0.258 120 Q C -0.137 175.895 176.000 0.052 0.000 0.961 120 Q CA 0.972 56.827 55.803 0.087 0.000 1.121 120 Q CB -3.106 25.719 28.738 0.145 0.000 1.503 120 Q HN -0.174 8.005 8.270 0.041 0.116 0.544 121 G N 1.095 109.789 108.800 -0.176 0.000 2.553 121 G HA2 0.156 nan 3.960 nan 0.000 0.278 121 G HA3 0.156 nan 3.960 nan 0.000 0.278 121 G C -2.072 172.441 174.900 -0.644 0.000 1.349 121 G CA -1.130 43.567 45.100 -0.671 0.000 1.037 121 G HN -0.036 8.114 8.290 -0.161 0.043 0.508 122 P HA 0.005 nan 4.420 nan 0.000 0.274 122 P C -1.296 175.868 177.300 -0.227 0.000 1.246 122 P CA -0.700 62.142 63.100 -0.431 0.000 0.795 122 P CB 0.899 32.349 31.700 -0.418 0.000 1.006 123 K N -0.360 119.991 120.400 -0.081 0.000 2.416 123 K HA -0.053 nan 4.320 nan 0.000 0.283 123 K C -0.519 176.081 176.600 0.001 0.000 1.037 123 K CA -0.331 55.947 56.287 -0.014 0.000 0.995 123 K CB -0.154 32.349 32.500 0.005 0.000 0.938 123 K HN 0.049 8.270 8.250 -0.049 0.000 0.475 124 I N 6.366 126.972 120.570 0.060 0.000 2.328 124 I HA 0.229 nan 4.170 nan 0.000 0.287 124 I C -1.524 174.661 176.117 0.113 0.000 1.012 124 I CA -4.419 56.941 61.300 0.100 0.000 1.195 124 I CB -0.876 37.251 38.000 0.211 0.000 1.350 124 I HN -0.213 8.307 8.210 0.096 -0.253 0.464 125 P HA -0.069 nan 4.420 nan 0.000 0.262 125 P C -2.177 175.182 177.300 0.098 0.000 1.182 125 P CA 0.027 63.138 63.100 0.018 0.000 0.761 125 P CB 0.124 31.785 31.700 -0.066 0.000 0.795 126 W N 6.502 127.736 121.300 -0.111 0.000 2.819 126 W HA 0.265 nan 4.660 nan 0.000 0.337 126 W C -2.628 173.762 176.519 -0.216 0.000 1.077 126 W CA -1.442 55.858 57.345 -0.075 0.000 1.226 126 W CB 4.030 33.587 29.460 0.161 0.000 1.419 126 W HN 0.677 8.944 8.180 0.145 0.000 0.502 127 R N 3.706 123.641 120.500 -0.943 0.000 2.514 127 R HA 0.541 nan 4.340 nan 0.000 0.301 127 R C -1.273 174.134 176.300 -1.489 0.000 0.962 127 R CA -1.508 53.940 56.100 -1.088 0.000 0.882 127 R CB 3.233 32.889 30.300 -1.073 0.000 1.143 127 R HN 0.282 7.963 8.270 -0.982 0.000 0.452 128 C N -1.914 116.686 119.300 -1.167 0.000 2.396 128 C HA 0.515 nan 4.460 nan 0.000 0.359 128 C C 0.601 175.432 174.990 -0.266 0.000 1.307 128 C CA -2.161 56.336 59.018 -0.868 0.000 2.392 128 C CB 0.858 28.239 27.740 -0.599 0.000 2.245 128 C HN 0.552 8.204 8.230 -0.963 0.000 0.615 129 G N -0.773 107.991 108.800 -0.059 0.000 2.227 129 G HA2 -0.225 nan 3.960 nan 0.000 0.168 129 G HA3 -0.225 nan 3.960 nan 0.000 0.168 129 G C -1.123 173.759 174.900 -0.030 0.000 1.006 129 G CA -0.243 44.879 45.100 0.036 0.000 0.684 129 G HN 0.293 8.996 8.290 -0.010 -0.419 0.489 130 R N 0.610 121.039 120.500 -0.118 0.000 2.679 130 R HA -0.019 nan 4.340 nan 0.000 0.268 130 R C -0.829 175.198 176.300 -0.456 0.000 1.044 130 R CA 1.034 56.894 56.100 -0.400 0.000 1.105 130 R CB 0.834 30.979 30.300 -0.258 0.000 0.989 130 R HN -0.530 7.920 8.270 -0.087 -0.233 0.447 131 V N 3.573 122.953 119.914 -0.891 0.000 2.540 131 V HA 0.085 nan 4.120 nan 0.000 0.302 131 V C -1.169 174.714 176.094 -0.352 0.000 1.035 131 V CA -1.627 60.412 62.300 -0.436 0.000 0.873 131 V CB 2.390 34.064 31.823 -0.248 0.000 0.992 131 V HN 0.005 7.042 8.190 -1.921 0.000 0.428 132 D N 5.117 125.437 120.400 -0.133 0.000 2.450 132 D HA -0.048 nan 4.640 nan 0.000 0.247 132 D C -0.168 176.166 176.300 0.055 0.000 1.162 132 D CA 0.909 54.888 54.000 -0.034 0.000 0.879 132 D CB 0.309 41.111 40.800 0.003 0.000 1.163 132 D HN 0.082 8.399 8.370 -0.088 0.000 0.472 133 T N 0.529 115.165 114.554 0.137 0.000 2.952 133 T HA 0.516 nan 4.350 nan 0.000 0.286 133 T C -1.732 173.132 174.700 0.274 0.000 1.024 133 T CA -3.309 58.910 62.100 0.198 0.000 1.029 133 T CB 0.338 69.342 68.868 0.226 0.000 1.094 133 T HN -0.258 8.066 8.240 0.141 0.000 0.515 134 P HA 0.165 nan 4.420 nan 0.000 0.272 134 P C 0.785 177.989 177.300 -0.159 0.000 1.240 134 P CA -1.092 62.069 63.100 0.101 0.000 0.791 134 P CB 0.722 32.442 31.700 0.034 0.000 0.978 135 E N 0.840 120.643 120.200 -0.663 0.000 2.209 135 E HA -0.368 nan 4.350 nan 0.000 0.196 135 E C 1.450 177.724 176.600 -0.545 0.000 0.993 135 E CA 3.496 59.089 56.400 -1.345 0.000 0.819 135 E CB -0.146 28.864 29.700 -1.150 0.000 0.745 135 E HN 0.515 8.622 8.360 -0.421 0.000 0.477 136 D N -5.630 114.612 120.400 -0.263 0.000 2.363 136 D HA -0.115 nan 4.640 nan 0.000 0.226 136 D C 1.014 177.282 176.300 -0.053 0.000 1.020 136 D CA 1.171 55.094 54.000 -0.129 0.000 0.892 136 D CB -0.911 39.842 40.800 -0.078 0.000 0.900 136 D HN 0.111 8.318 8.370 -0.228 0.026 0.531 137 T N -4.032 110.509 114.554 -0.023 0.000 3.107 137 T HA 0.113 nan 4.350 nan 0.000 0.249 137 T C 0.901 175.658 174.700 0.096 0.000 1.096 137 T CA -0.282 61.857 62.100 0.066 0.000 1.012 137 T CB 0.499 69.446 68.868 0.132 0.000 0.977 137 T HN -0.478 7.574 8.240 -0.059 0.153 0.527 138 T N 7.872 122.465 114.554 0.064 0.000 2.793 138 T HA 0.108 nan 4.350 nan 0.000 0.289 138 T C -1.727 173.033 174.700 0.099 0.000 0.956 138 T CA -0.040 62.138 62.100 0.130 0.000 1.177 138 T CB -0.593 68.341 68.868 0.110 0.000 0.897 138 T HN -0.598 7.454 8.240 -0.035 0.167 0.533 139 P HA 0.040 nan 4.420 nan 0.000 0.268 139 P C -1.579 175.763 177.300 0.070 0.000 1.205 139 P CA -0.721 62.429 63.100 0.084 0.000 0.771 139 P CB 0.634 32.388 31.700 0.090 0.000 0.858 140 D N 1.644 122.075 120.400 0.050 0.000 2.400 140 D HA -0.150 nan 4.640 nan 0.000 0.238 140 D C 0.411 176.740 176.300 0.049 0.000 1.157 140 D CA 0.634 54.660 54.000 0.045 0.000 0.889 140 D CB 0.493 41.313 40.800 0.033 0.000 1.199 140 D HN 0.130 8.526 8.370 0.043 0.000 0.436 141 N N -0.479 118.251 118.700 0.049 0.000 2.344 141 N HA -0.251 nan 4.740 nan 0.000 0.236 141 N C 1.162 176.700 175.510 0.046 0.000 1.279 141 N CA 1.090 54.169 53.050 0.048 0.000 0.882 141 N CB 0.056 38.572 38.487 0.048 0.000 1.110 141 N HN 0.275 8.685 8.380 0.049 0.000 0.436 142 G N 0.099 108.928 108.800 0.048 0.000 2.159 142 G HA2 -0.249 nan 3.960 nan 0.000 0.227 142 G HA3 -0.249 nan 3.960 nan 0.000 0.227 142 G C -0.016 174.933 174.900 0.081 0.000 0.986 142 G CA 0.239 45.377 45.100 0.063 0.000 0.651 142 G HN 0.347 8.662 8.290 0.042 0.000 0.523 143 R N -1.449 119.092 120.500 0.068 0.000 2.300 143 R HA 0.007 nan 4.340 nan 0.000 0.199 143 R C -0.323 176.091 176.300 0.191 0.000 0.920 143 R CA 0.083 56.241 56.100 0.097 0.000 1.046 143 R CB 0.578 30.902 30.300 0.041 0.000 0.984 143 R HN -0.017 8.230 8.270 0.047 0.051 0.493 144 L N -0.491 120.779 121.223 0.078 0.000 2.343 144 L HA 0.279 nan 4.340 nan 0.000 0.275 144 L C -1.938 174.895 176.870 -0.061 0.000 1.056 144 L CA -2.891 51.928 54.840 -0.033 0.000 0.804 144 L CB 0.365 42.244 42.059 -0.299 0.000 1.203 144 L HN -0.391 7.801 8.230 0.039 0.061 0.440 145 P HA 0.085 nan 4.420 nan 0.000 0.278 145 P C -1.617 175.658 177.300 -0.042 0.000 1.238 145 P CA -0.780 62.075 63.100 -0.408 0.000 0.794 145 P CB 0.567 31.635 31.700 -1.054 0.000 0.955 146 D N 4.043 124.468 120.400 0.042 0.000 2.339 146 D HA 0.055 nan 4.640 nan 0.000 0.245 146 D C -0.024 176.241 176.300 -0.059 0.000 1.115 146 D CA 0.013 53.986 54.000 -0.045 0.000 0.917 146 D CB 0.748 41.444 40.800 -0.174 0.000 1.192 146 D HN -0.020 8.481 8.370 0.217 0.000 0.428 147 A N -0.426 122.396 122.820 0.003 0.000 2.147 147 A HA 0.052 nan 4.320 nan 0.000 0.211 147 A C -0.434 177.143 177.584 -0.011 0.000 1.160 147 A CA 1.387 53.408 52.037 -0.026 0.000 0.781 147 A CB 0.532 19.426 19.000 -0.177 0.000 0.842 147 A HN 0.140 8.326 8.150 0.061 0.000 0.475 148 D N -4.201 116.218 120.400 0.033 0.000 2.676 148 D HA 0.010 nan 4.640 nan 0.000 0.239 148 D C -1.012 175.283 176.300 -0.008 0.000 1.213 148 D CA -0.543 53.502 54.000 0.074 0.000 0.835 148 D CB -1.818 39.047 40.800 0.108 0.000 1.009 148 D HN 0.177 8.558 8.370 0.018 0.000 0.479 149 K N -1.266 119.106 120.400 -0.048 0.000 2.263 149 K HA 0.277 nan 4.320 nan 0.000 0.249 149 K C -1.963 174.687 176.600 0.083 0.000 1.076 149 K CA -1.926 54.312 56.287 -0.082 0.000 0.884 149 K CB 2.824 35.033 32.500 -0.485 0.000 1.394 149 K HN -0.672 7.501 8.250 -0.011 0.071 0.476 150 D N -4.064 116.427 120.400 0.151 0.000 2.588 150 D HA 0.149 nan 4.640 nan 0.000 0.268 150 D C 0.403 176.868 176.300 0.275 0.000 1.176 150 D CA -1.154 52.970 54.000 0.206 0.000 1.080 150 D CB 1.773 42.679 40.800 0.178 0.000 1.186 150 D HN -0.167 8.285 8.370 0.137 0.000 0.619 151 A N -1.918 121.057 122.820 0.257 0.000 2.067 151 A HA -0.194 nan 4.320 nan 0.000 0.219 151 A C 1.693 179.463 177.584 0.310 0.000 1.158 151 A CA 2.921 55.163 52.037 0.340 0.000 0.661 151 A CB -0.450 18.725 19.000 0.293 0.000 0.801 151 A HN 0.403 8.679 8.150 0.209 0.000 0.452 152 G N -1.537 107.401 108.800 0.231 0.000 2.408 152 G HA2 -0.247 nan 3.960 nan 0.000 0.215 152 G HA3 -0.247 nan 3.960 nan 0.000 0.215 152 G C 0.723 175.768 174.900 0.243 0.000 1.156 152 G CA 1.097 46.311 45.100 0.189 0.000 0.793 152 G HN -0.257 8.282 8.290 0.209 -0.123 0.535 153 Y N 3.333 123.738 120.300 0.174 0.000 2.081 153 Y HA -0.509 nan 4.550 nan 0.000 0.280 153 Y C 1.595 177.656 175.900 0.268 0.000 1.163 153 Y CA 4.064 62.279 58.100 0.192 0.000 1.135 153 Y CB 0.136 38.693 38.460 0.161 0.000 0.970 153 Y HN -0.698 8.040 8.280 0.385 -0.226 0.498 154 V N -1.157 119.019 119.914 0.436 0.000 2.282 154 V HA -0.584 nan 4.120 nan 0.000 0.249 154 V C 2.131 178.519 176.094 0.490 0.000 1.057 154 V CA 4.505 67.077 62.300 0.454 0.000 1.032 154 V CB -1.125 30.972 31.823 0.457 0.000 0.645 154 V HN -0.218 8.289 8.190 0.527 0.000 0.447 155 R N -1.957 118.797 120.500 0.422 0.000 2.073 155 R HA -0.385 nan 4.340 nan 0.000 0.234 155 R C 2.121 178.557 176.300 0.228 0.000 1.134 155 R CA 3.732 60.042 56.100 0.349 0.000 0.952 155 R CB -0.133 30.290 30.300 0.205 0.000 0.850 155 R HN -0.268 8.249 8.270 0.411 0.000 0.433 156 T N 1.821 116.455 114.554 0.133 0.000 2.746 156 T HA -0.269 nan 4.350 nan 0.000 0.267 156 T C 1.900 176.586 174.700 -0.023 0.000 1.039 156 T CA 4.861 66.987 62.100 0.044 0.000 1.142 156 T CB -0.549 68.330 68.868 0.018 0.000 0.866 156 T HN -0.486 7.838 8.240 0.140 0.000 0.444 157 F N 2.753 122.572 119.950 -0.218 0.000 2.069 157 F HA -0.448 nan 4.527 nan 0.000 0.298 157 F C 1.434 177.131 175.800 -0.172 0.000 1.113 157 F CA 3.594 61.406 58.000 -0.314 0.000 1.214 157 F CB 0.290 38.959 39.000 -0.552 0.000 0.978 157 F HN 0.122 8.395 8.300 -0.046 0.000 0.474 158 F N -1.815 118.205 119.950 0.116 0.000 2.451 158 F HA -0.312 nan 4.527 nan 0.000 0.299 158 F C 1.738 177.536 175.800 -0.003 0.000 1.101 158 F CA 3.243 61.298 58.000 0.092 0.000 1.436 158 F CB -0.441 38.690 39.000 0.219 0.000 1.074 158 F HN -0.206 8.376 8.300 0.470 0.000 0.553 159 Q N 0.476 120.344 119.800 0.112 0.000 2.170 159 Q HA -0.367 nan 4.340 nan 0.000 0.203 159 Q C 1.964 177.916 176.000 -0.080 0.000 0.976 159 Q CA 3.207 59.033 55.803 0.039 0.000 0.858 159 Q CB -0.562 28.195 28.738 0.031 0.000 0.907 159 Q HN -0.271 8.043 8.270 0.130 0.034 0.433 160 R N -1.397 118.972 120.500 -0.217 0.000 2.241 160 R HA -0.185 nan 4.340 nan 0.000 0.224 160 R C 0.907 177.010 176.300 -0.330 0.000 1.101 160 R CA 2.799 58.688 56.100 -0.351 0.000 0.995 160 R CB 0.013 30.043 30.300 -0.450 0.000 0.870 160 R HN -0.457 7.553 8.270 -0.266 0.100 0.463 161 L N -4.609 116.568 121.223 -0.076 0.000 2.857 161 L HA 0.086 nan 4.340 nan 0.000 0.249 161 L C -1.235 175.855 176.870 0.367 0.000 1.172 161 L CA -1.253 53.760 54.840 0.289 0.000 0.980 161 L CB -0.453 41.804 42.059 0.329 0.000 1.299 161 L HN -0.850 7.161 8.230 -0.086 0.168 0.535 162 N N -1.732 117.086 118.700 0.197 0.000 2.823 162 N HA -0.420 nan 4.740 nan 0.000 0.287 162 N C -0.833 174.779 175.510 0.170 0.000 1.007 162 N CA 0.967 54.113 53.050 0.161 0.000 0.840 162 N CB -1.226 37.340 38.487 0.131 0.000 0.944 162 N HN -0.427 7.836 8.380 0.059 0.152 0.590 163 M N -0.638 119.085 119.600 0.206 0.000 2.238 163 M HA 0.209 nan 4.480 nan 0.000 0.350 163 M C -0.410 175.974 176.300 0.141 0.000 1.138 163 M CA -1.694 53.710 55.300 0.173 0.000 1.040 163 M CB 0.327 33.066 32.600 0.232 0.000 1.639 163 M HN 0.057 8.389 8.290 0.237 0.101 0.451 164 N N 4.003 122.762 118.700 0.098 0.000 2.495 164 N HA 0.120 nan 4.740 nan 0.000 0.294 164 N C -0.033 175.542 175.510 0.108 0.000 1.276 164 N CA -1.084 52.024 53.050 0.097 0.000 0.973 164 N CB 0.652 39.182 38.487 0.071 0.000 1.143 164 N HN 0.492 9.243 8.380 0.082 -0.321 0.589 165 D N -0.007 120.471 120.400 0.130 0.000 2.097 165 D HA -0.266 nan 4.640 nan 0.000 0.195 165 D C 2.426 178.826 176.300 0.168 0.000 0.989 165 D CA 4.235 58.372 54.000 0.227 0.000 0.827 165 D CB -0.298 40.605 40.800 0.171 0.000 0.966 165 D HN 0.330 8.759 8.370 0.099 0.000 0.456 166 R N -0.345 120.219 120.500 0.107 0.000 2.091 166 R HA -0.369 nan 4.340 nan 0.000 0.238 166 R C 2.099 178.474 176.300 0.126 0.000 1.136 166 R CA 3.118 59.282 56.100 0.107 0.000 0.959 166 R CB -0.200 30.153 30.300 0.090 0.000 0.856 166 R HN 0.039 8.419 8.270 0.091 -0.055 0.437 167 E N -0.496 119.743 120.200 0.065 0.000 2.072 167 E HA -0.328 nan 4.350 nan 0.000 0.191 167 E C 2.633 179.172 176.600 -0.102 0.000 0.985 167 E CA 3.067 59.474 56.400 0.012 0.000 0.801 167 E CB -0.105 29.599 29.700 0.006 0.000 0.750 167 E HN -0.571 8.086 8.360 0.063 -0.259 0.452 168 V N 0.669 120.459 119.914 -0.207 0.000 2.295 168 V HA -0.350 nan 4.120 nan 0.000 0.246 168 V C 2.067 177.954 176.094 -0.345 0.000 1.049 168 V CA 4.658 66.646 62.300 -0.521 0.000 1.024 168 V CB -0.863 30.674 31.823 -0.477 0.000 0.648 168 V HN 0.039 8.167 8.190 -0.102 0.000 0.447 169 V N -1.196 118.639 119.914 -0.133 0.000 2.358 169 V HA -0.419 nan 4.120 nan 0.000 0.246 169 V C 1.994 178.270 176.094 0.302 0.000 1.047 169 V CA 4.377 66.705 62.300 0.047 0.000 1.035 169 V CB -1.478 30.412 31.823 0.112 0.000 0.658 169 V HN -0.265 7.880 8.190 -0.075 0.000 0.452 170 A N -0.053 123.000 122.820 0.388 0.000 1.883 170 A HA -0.272 nan 4.320 nan 0.000 0.217 170 A C 2.348 180.199 177.584 0.444 0.000 1.186 170 A CA 3.236 55.540 52.037 0.446 0.000 0.624 170 A CB -0.730 18.451 19.000 0.301 0.000 0.822 170 A HN -0.137 8.213 8.150 0.332 0.000 0.444 171 L N -2.041 119.260 121.223 0.129 0.000 2.046 171 L HA -0.283 nan 4.340 nan 0.000 0.208 171 L C 2.525 179.299 176.870 -0.160 0.000 1.077 171 L CA 2.533 57.384 54.840 0.020 0.000 0.747 171 L CB -0.774 41.159 42.059 -0.211 0.000 0.896 171 L HN -0.075 8.161 8.230 0.011 0.000 0.432 172 K N -1.870 118.317 120.400 -0.356 0.000 2.281 172 K HA -0.264 nan 4.320 nan 0.000 0.203 172 K C 2.679 178.651 176.600 -1.047 0.000 1.046 172 K CA 2.246 58.111 56.287 -0.702 0.000 0.938 172 K CB -1.228 30.950 32.500 -0.538 0.000 0.737 172 K HN 0.073 8.146 8.250 -0.296 0.000 0.458 173 G N -1.841 106.573 108.800 -0.642 0.000 2.535 173 G HA2 -0.155 nan 3.960 nan 0.000 0.218 173 G HA3 -0.155 nan 3.960 nan 0.000 0.218 173 G C 0.558 174.985 174.900 -0.789 0.000 1.122 173 G CA 1.094 45.659 45.100 -0.891 0.000 0.769 173 G HN -0.095 7.970 8.290 -0.156 0.131 0.549 174 A N 1.608 124.062 122.820 -0.609 0.000 2.172 174 A HA -0.175 nan 4.320 nan 0.000 0.216 174 A C 1.255 178.467 177.584 -0.620 0.000 1.154 174 A CA 1.784 53.504 52.037 -0.529 0.000 0.701 174 A CB -0.608 18.237 19.000 -0.259 0.000 0.789 174 A HN -0.366 7.491 8.150 -0.418 0.043 0.465 175 H N -1.663 116.746 119.070 -1.102 0.000 2.563 175 H HA -0.192 nan 4.556 nan 0.000 0.272 175 H C 0.046 174.779 175.328 -0.991 0.000 1.005 175 H CA 0.055 55.213 56.048 -1.485 0.000 1.171 175 H CB -0.316 28.133 29.762 -2.188 0.000 1.351 175 H HN -0.310 7.056 8.280 -1.252 0.162 0.602 176 A N -2.262 120.217 122.820 -0.568 0.000 2.178 176 A HA -0.176 nan 4.320 nan 0.000 0.218 176 A C -0.200 177.295 177.584 -0.148 0.000 1.157 176 A CA 1.101 52.973 52.037 -0.274 0.000 0.689 176 A CB 0.250 19.040 19.000 -0.349 0.000 0.787 176 A HN -0.646 7.027 8.150 -0.744 0.031 0.465 177 L N -2.756 118.367 121.223 -0.166 0.000 2.309 177 L HA -0.022 nan 4.340 nan 0.000 0.282 177 L C 0.280 177.226 176.870 0.128 0.000 1.036 177 L CA -0.476 54.354 54.840 -0.018 0.000 0.806 177 L CB 0.732 42.775 42.059 -0.027 0.000 1.220 177 L HN -0.729 7.151 8.230 -0.305 0.167 0.429 178 G N 2.646 111.537 108.800 0.151 0.000 2.552 178 G HA2 -0.318 nan 3.960 nan 0.000 0.265 178 G HA3 -0.318 nan 3.960 nan 0.000 0.265 178 G C -2.586 172.452 174.900 0.229 0.000 1.234 178 G CA 0.641 45.858 45.100 0.194 0.000 0.944 178 G HN 0.681 8.920 8.290 0.104 0.113 0.568 179 K N -2.291 118.195 120.400 0.144 0.000 2.615 179 K HA 0.419 nan 4.320 nan 0.000 0.291 179 K C -1.932 174.407 176.600 -0.434 0.000 1.017 179 K CA -1.738 54.404 56.287 -0.242 0.000 0.882 179 K CB 3.099 35.396 32.500 -0.338 0.000 1.522 179 K HN -0.463 7.916 8.250 0.215 0.000 0.412 180 T N -2.793 111.352 114.554 -0.682 0.000 2.913 180 T HA 0.410 nan 4.350 nan 0.000 0.287 180 T C -0.211 174.196 174.700 -0.488 0.000 1.008 180 T CA -1.343 60.513 62.100 -0.407 0.000 1.067 180 T CB 1.039 69.713 68.868 -0.322 0.000 0.996 180 T HN 0.342 8.053 8.240 -0.882 0.000 0.513 181 H N 1.219 120.272 119.070 -0.028 0.000 2.609 181 H HA 0.446 nan 4.556 nan 0.000 0.344 181 H C -0.047 175.278 175.328 -0.005 0.000 1.040 181 H CA -0.908 55.124 56.048 -0.025 0.000 1.216 181 H CB 1.886 31.637 29.762 -0.018 0.000 1.529 181 H HN 0.258 8.593 8.280 0.092 0.000 0.519 182 L N 5.938 127.194 121.223 0.055 0.000 2.042 182 L HA -0.403 nan 4.340 nan 0.000 0.210 182 L C 0.931 177.819 176.870 0.029 0.000 1.076 182 L CA 3.989 58.839 54.840 0.018 0.000 0.749 182 L CB 0.248 42.297 42.059 -0.017 0.000 0.893 182 L HN 0.101 8.641 8.230 0.024 -0.295 0.432 183 K N -2.282 118.146 120.400 0.046 0.000 2.209 183 K HA -0.315 nan 4.320 nan 0.000 0.204 183 K C 1.060 177.686 176.600 0.043 0.000 1.048 183 K CA 2.619 58.925 56.287 0.032 0.000 0.940 183 K CB -0.430 32.085 32.500 0.025 0.000 0.729 183 K HN 0.235 8.518 8.250 0.055 0.000 0.451 184 N N -2.891 115.856 118.700 0.078 0.000 2.220 184 N HA -0.059 nan 4.740 nan 0.000 0.182 184 N C 0.954 176.525 175.510 0.101 0.000 1.023 184 N CA 2.229 55.327 53.050 0.080 0.000 0.856 184 N CB 0.638 39.186 38.487 0.101 0.000 0.997 184 N HN -0.446 7.875 8.380 0.116 0.128 0.429 185 S N -4.330 111.451 115.700 0.136 0.000 2.666 185 S HA 0.167 nan 4.470 nan 0.000 0.239 185 S C 0.656 175.332 174.600 0.127 0.000 1.031 185 S CA -0.588 57.722 58.200 0.183 0.000 1.015 185 S CB 2.072 65.445 63.200 0.287 0.000 0.981 185 S HN -0.473 7.925 8.310 0.145 0.000 0.547 186 G N 0.395 109.192 108.800 -0.006 0.000 2.143 186 G HA2 -0.333 nan 3.960 nan 0.000 0.249 186 G HA3 -0.333 nan 3.960 nan 0.000 0.249 186 G C -1.393 173.220 174.900 -0.478 0.000 0.981 186 G CA 0.711 45.678 45.100 -0.222 0.000 0.665 186 G HN -0.102 8.200 8.290 0.019 0.000 0.528 187 Y N -2.604 117.680 120.300 -0.026 0.000 2.499 187 Y HA 0.269 nan 4.550 nan 0.000 0.347 187 Y C -1.552 174.281 175.900 -0.112 0.000 0.987 187 Y CA -2.032 56.027 58.100 -0.067 0.000 1.044 187 Y CB 2.976 41.391 38.460 -0.074 0.000 1.245 187 Y HN -0.906 7.388 8.280 0.112 0.053 0.461 188 E N 1.800 122.003 120.200 0.005 0.000 2.263 188 E HA 0.320 nan 4.350 nan 0.000 0.268 188 E C -1.338 175.176 176.600 -0.143 0.000 0.884 188 E CA -1.485 54.862 56.400 -0.089 0.000 0.766 188 E CB 2.805 32.465 29.700 -0.068 0.000 1.196 188 E HN 0.101 8.772 8.360 0.044 -0.284 0.416 189 G N 4.406 113.065 108.800 -0.236 0.000 2.335 189 G HA2 -0.131 nan 3.960 nan 0.000 0.592 189 G HA3 -0.131 nan 3.960 nan 0.000 0.592 189 G C -3.284 171.390 174.900 -0.376 0.000 1.442 189 G CA -0.603 44.362 45.100 -0.225 0.000 0.976 189 G HN -0.249 7.865 8.290 -0.293 0.000 0.652 190 P HA 0.468 nan 4.420 nan 0.000 0.278 190 P C -0.024 177.160 177.300 -0.193 0.000 1.258 190 P CA -1.164 61.807 63.100 -0.215 0.000 0.811 190 P CB 1.243 32.920 31.700 -0.039 0.000 1.063 191 W N -1.013 120.258 121.300 -0.048 0.000 2.863 191 W HA 0.045 nan 4.660 nan 0.000 0.258 191 W C -0.408 175.966 176.519 -0.242 0.000 1.298 191 W CA 1.504 58.832 57.345 -0.028 0.000 1.451 191 W CB 0.973 30.449 29.460 0.027 0.000 1.107 191 W HN 0.277 8.655 8.180 0.330 0.000 0.641 192 G N -5.739 102.913 108.800 -0.247 0.000 2.619 192 G HA2 0.214 nan 3.960 nan 0.000 0.305 192 G HA3 0.214 nan 3.960 nan 0.000 0.305 192 G C -1.994 172.612 174.900 -0.490 0.000 1.330 192 G CA -0.215 44.440 45.100 -0.742 0.000 0.789 192 G HN -0.873 7.319 8.290 -0.076 0.052 0.487 193 A N -1.159 121.475 122.820 -0.309 0.000 1.956 193 A HA 0.152 nan 4.320 nan 0.000 0.212 193 A C 0.759 178.349 177.584 0.009 0.000 1.188 193 A CA 1.383 53.417 52.037 -0.006 0.000 0.675 193 A CB 1.227 20.295 19.000 0.114 0.000 0.845 193 A HN 0.187 8.477 8.150 -0.377 -0.366 0.455 194 A N -0.079 122.735 122.820 -0.010 0.000 3.215 194 A HA 0.258 nan 4.320 nan 0.000 0.269 194 A C -1.314 176.276 177.584 0.011 0.000 1.517 194 A CA -1.322 50.724 52.037 0.015 0.000 1.221 194 A CB -1.645 17.367 19.000 0.020 0.000 1.160 194 A HN -0.429 7.967 8.150 -0.041 -0.270 0.620 195 N N -0.475 118.239 118.700 0.022 0.000 2.485 195 N HA -0.150 nan 4.740 nan 0.000 0.199 195 N C -1.215 174.323 175.510 0.048 0.000 1.236 195 N CA 0.665 53.734 53.050 0.033 0.000 0.852 195 N CB -0.065 38.455 38.487 0.055 0.000 1.018 195 N HN -0.146 8.172 8.380 0.024 0.076 0.457 196 N N -3.563 115.168 118.700 0.053 0.000 2.475 196 N HA 0.131 nan 4.740 nan 0.000 0.272 196 N C -1.593 173.961 175.510 0.074 0.000 1.482 196 N CA -0.879 52.210 53.050 0.065 0.000 0.863 196 N CB -0.485 38.046 38.487 0.073 0.000 1.400 196 N HN 0.027 8.368 8.380 0.050 0.069 0.489 197 V N -0.482 119.475 119.914 0.071 0.000 2.638 197 V HA 0.348 nan 4.120 nan 0.000 0.306 197 V C -1.959 174.201 176.094 0.109 0.000 1.052 197 V CA -0.603 61.757 62.300 0.099 0.000 0.885 197 V CB 2.439 34.316 31.823 0.090 0.000 0.999 197 V HN -0.720 7.500 8.190 0.049 0.000 0.424 198 F N 8.790 128.744 119.950 0.007 0.000 2.413 198 F HA 0.189 nan 4.527 nan 0.000 0.359 198 F C -1.011 174.901 175.800 0.186 0.000 1.122 198 F CA 0.246 58.236 58.000 -0.017 0.000 1.160 198 F CB 0.519 39.398 39.000 -0.201 0.000 1.146 198 F HN 0.733 9.191 8.300 0.263 0.000 0.514 199 T N 2.515 117.059 114.554 -0.017 0.000 2.778 199 T HA 0.248 nan 4.350 nan 0.000 0.293 199 T C -1.145 173.607 174.700 0.087 0.000 1.144 199 T CA -2.226 59.978 62.100 0.174 0.000 1.010 199 T CB 2.836 71.754 68.868 0.084 0.000 1.325 199 T HN -0.372 7.717 8.240 -0.253 0.000 0.515 200 N N -2.262 116.511 118.700 0.121 0.000 2.471 200 N HA -0.096 nan 4.740 nan 0.000 0.205 200 N C 0.764 176.260 175.510 -0.024 0.000 1.251 200 N CA 0.216 53.263 53.050 -0.006 0.000 0.843 200 N CB -1.650 36.891 38.487 0.090 0.000 1.044 200 N HN 0.336 8.790 8.380 0.123 0.000 0.461 201 E N 0.840 120.993 120.200 -0.079 0.000 2.153 201 E HA -0.347 nan 4.350 nan 0.000 0.194 201 E C 0.908 177.458 176.600 -0.084 0.000 0.988 201 E CA 2.756 59.119 56.400 -0.061 0.000 0.811 201 E CB -0.278 29.379 29.700 -0.072 0.000 0.746 201 E HN -0.790 7.391 8.360 -0.105 0.115 0.466 202 F N 0.202 119.906 119.950 -0.410 0.000 2.161 202 F HA -0.400 nan 4.527 nan 0.000 0.300 202 F C 1.566 177.125 175.800 -0.400 0.000 1.089 202 F CA 3.494 61.202 58.000 -0.486 0.000 1.282 202 F CB -0.081 38.422 39.000 -0.828 0.000 1.010 202 F HN -0.166 8.000 8.300 -0.223 0.000 0.485 203 Y N -2.822 117.399 120.300 -0.131 0.000 2.243 203 Y HA -0.351 nan 4.550 nan 0.000 0.293 203 Y C 2.121 177.941 175.900 -0.133 0.000 1.124 203 Y CA 3.702 61.686 58.100 -0.194 0.000 1.159 203 Y CB -0.578 37.818 38.460 -0.107 0.000 1.008 203 Y HN -0.638 7.409 8.280 -0.357 0.018 0.527 204 L N -0.870 120.401 121.223 0.080 0.000 2.046 204 L HA -0.560 nan 4.340 nan 0.000 0.208 204 L C 2.125 179.035 176.870 0.067 0.000 1.077 204 L CA 3.268 58.142 54.840 0.057 0.000 0.747 204 L CB -0.643 41.445 42.059 0.048 0.000 0.896 204 L HN -0.646 7.646 8.230 0.104 0.000 0.432 205 N N -0.949 117.794 118.700 0.071 0.000 2.142 205 N HA -0.269 nan 4.740 nan 0.000 0.186 205 N C 2.480 178.220 175.510 0.384 0.000 1.023 205 N CA 2.901 56.082 53.050 0.218 0.000 0.852 205 N CB -0.504 38.141 38.487 0.264 0.000 0.998 205 N HN -0.171 8.219 8.380 0.018 0.000 0.424 206 L N 0.218 121.502 121.223 0.101 0.000 2.046 206 L HA -0.233 nan 4.340 nan 0.000 0.208 206 L C 2.126 179.084 176.870 0.147 0.000 1.077 206 L CA 3.138 57.988 54.840 0.016 0.000 0.747 206 L CB -0.017 41.759 42.059 -0.472 0.000 0.896 206 L HN -0.245 7.913 8.230 -0.121 0.000 0.432 207 L N -2.847 118.419 121.223 0.072 0.000 2.341 207 L HA -0.262 nan 4.340 nan 0.000 0.214 207 L C 1.342 178.262 176.870 0.083 0.000 1.115 207 L CA 2.261 57.136 54.840 0.058 0.000 0.820 207 L CB -0.185 41.885 42.059 0.019 0.000 0.944 207 L HN -0.005 8.246 8.230 0.036 0.000 0.452 208 N N -3.969 114.787 118.700 0.095 0.000 2.227 208 N HA 0.045 nan 4.740 nan 0.000 0.196 208 N C -0.302 175.188 175.510 -0.033 0.000 1.142 208 N CA 0.107 53.178 53.050 0.035 0.000 0.887 208 N CB 1.529 40.034 38.487 0.030 0.000 1.022 208 N HN -0.150 8.209 8.380 0.127 0.097 0.500 209 E N -0.060 120.081 120.200 -0.098 0.000 2.283 209 E HA 0.066 nan 4.350 nan 0.000 0.271 209 E C -0.968 175.334 176.600 -0.498 0.000 1.031 209 E CA -0.595 55.543 56.400 -0.437 0.000 0.868 209 E CB 1.072 30.203 29.700 -0.947 0.000 1.094 209 E HN -0.781 7.618 8.360 0.065 0.000 0.401 210 D N 2.988 123.128 120.400 -0.434 0.000 2.468 210 D HA 0.064 nan 4.640 nan 0.000 0.218 210 D C -1.097 175.052 176.300 -0.253 0.000 1.155 210 D CA -1.308 52.557 54.000 -0.226 0.000 0.924 210 D CB -0.569 40.147 40.800 -0.139 0.000 1.029 210 D HN 0.207 8.329 8.370 -0.413 0.000 0.515 211 W N 2.107 123.500 121.300 0.156 0.000 2.287 211 W HA 0.088 nan 4.660 nan 0.000 0.313 211 W C -0.734 175.958 176.519 0.288 0.000 1.267 211 W CA -1.079 56.407 57.345 0.235 0.000 1.201 211 W CB 0.933 30.579 29.460 0.310 0.000 1.196 211 W HN -0.541 7.695 8.180 0.093 0.000 0.536 212 K N 3.484 124.127 120.400 0.405 0.000 2.323 212 K HA 0.330 nan 4.320 nan 0.000 0.259 212 K C -1.435 175.131 176.600 -0.057 0.000 0.947 212 K CA -1.777 54.618 56.287 0.179 0.000 0.819 212 K CB 3.124 35.661 32.500 0.061 0.000 1.109 212 K HN 0.842 9.210 8.250 0.385 0.114 0.429 213 L N 6.366 127.303 121.223 -0.477 0.000 2.418 213 L HA 0.173 nan 4.340 nan 0.000 0.274 213 L C -0.891 175.711 176.870 -0.446 0.000 1.135 213 L CA 0.607 54.901 54.840 -0.911 0.000 0.870 213 L CB 0.398 41.711 42.059 -1.244 0.000 1.154 213 L HN 0.422 8.440 8.230 -0.354 0.000 0.462 214 E N 6.487 126.475 120.200 -0.352 0.000 2.408 214 E HA 0.354 nan 4.350 nan 0.000 0.275 214 E C -2.072 174.424 176.600 -0.173 0.000 0.935 214 E CA -1.949 54.329 56.400 -0.203 0.000 0.775 214 E CB 3.952 33.577 29.700 -0.124 0.000 1.277 214 E HN 0.750 8.868 8.360 -0.403 0.000 0.455 215 K N 0.782 121.104 120.400 -0.130 0.000 2.144 215 K HA 0.273 nan 4.320 nan 0.000 0.270 215 K C -0.623 175.920 176.600 -0.095 0.000 1.005 215 K CA 0.057 56.277 56.287 -0.112 0.000 0.932 215 K CB 0.877 33.319 32.500 -0.097 0.000 1.021 215 K HN 0.138 8.316 8.250 -0.119 0.000 0.462 216 N N 4.253 122.892 118.700 -0.101 0.000 2.538 216 N HA 0.184 nan 4.740 nan 0.000 0.292 216 N C 0.720 176.174 175.510 -0.094 0.000 1.262 216 N CA -1.090 51.905 53.050 -0.092 0.000 0.976 216 N CB 0.602 39.030 38.487 -0.098 0.000 1.161 216 N HN 0.365 8.675 8.380 -0.118 0.000 0.598 217 D N -1.684 118.666 120.400 -0.083 0.000 2.309 217 D HA -0.207 nan 4.640 nan 0.000 0.212 217 D C 0.136 176.384 176.300 -0.085 0.000 0.968 217 D CA 2.926 56.882 54.000 -0.074 0.000 0.882 217 D CB -0.613 40.151 40.800 -0.059 0.000 0.918 217 D HN 0.521 8.846 8.370 -0.075 0.000 0.503 218 A N -2.425 120.324 122.820 -0.119 0.000 2.275 218 A HA -0.000 nan 4.320 nan 0.000 0.212 218 A C -0.391 177.112 177.584 -0.134 0.000 1.201 218 A CA -0.112 51.847 52.037 -0.131 0.000 0.843 218 A CB 0.407 19.297 19.000 -0.183 0.000 0.873 218 A HN -0.374 7.898 8.150 -0.139 -0.206 0.492 219 N N -5.083 113.543 118.700 -0.123 0.000 2.818 219 N HA -0.465 nan 4.740 nan 0.000 0.250 219 N C -1.592 173.840 175.510 -0.131 0.000 1.108 219 N CA 1.190 54.175 53.050 -0.108 0.000 0.745 219 N CB -1.453 36.984 38.487 -0.082 0.000 1.104 219 N HN -0.018 8.207 8.380 -0.115 0.086 0.557 220 N N -0.530 118.055 118.700 -0.192 0.000 2.417 220 N HA 0.226 nan 4.740 nan 0.000 0.300 220 N C -1.456 173.979 175.510 -0.125 0.000 1.102 220 N CA -0.554 52.371 53.050 -0.209 0.000 0.886 220 N CB 2.383 40.563 38.487 -0.512 0.000 1.203 220 N HN -0.552 7.905 8.380 -0.218 -0.207 0.496 221 E N 0.497 120.673 120.200 -0.041 0.000 2.313 221 E HA 0.213 nan 4.350 nan 0.000 0.276 221 E C -1.290 175.342 176.600 0.054 0.000 1.031 221 E CA 0.399 56.767 56.400 -0.054 0.000 0.857 221 E CB 0.839 30.477 29.700 -0.103 0.000 1.040 221 E HN 0.407 8.759 8.360 -0.014 0.000 0.408 222 Q N -0.717 119.044 119.800 -0.065 0.000 2.462 222 Q HA 0.627 nan 4.340 nan 0.000 0.285 222 Q C -1.410 174.477 176.000 -0.189 0.000 1.035 222 Q CA -2.185 53.616 55.803 -0.004 0.000 0.799 222 Q CB 3.671 32.500 28.738 0.153 0.000 1.452 222 Q HN 0.613 8.795 8.270 -0.147 0.000 0.404 223 W N 0.339 121.604 121.300 -0.058 0.000 2.358 223 W HA 0.110 nan 4.660 nan 0.000 0.307 223 W C -0.775 175.875 176.519 0.219 0.000 1.203 223 W CA 0.146 57.472 57.345 -0.031 0.000 1.279 223 W CB 0.606 29.889 29.460 -0.295 0.000 1.264 223 W HN 0.580 8.943 8.180 0.304 0.000 0.474 224 D N 4.765 125.417 120.400 0.421 0.000 2.248 224 D HA 0.754 nan 4.640 nan 0.000 0.246 224 D C -1.144 175.324 176.300 0.281 0.000 1.027 224 D CA -0.935 53.276 54.000 0.353 0.000 0.853 224 D CB 3.609 44.483 40.800 0.124 0.000 1.243 224 D HN 0.694 9.223 8.370 0.265 0.000 0.462 225 S N 1.125 116.862 115.700 0.061 0.000 2.607 225 S HA 0.658 nan 4.470 nan 0.000 0.303 225 S C 1.210 175.658 174.600 -0.252 0.000 1.086 225 S CA -1.901 56.124 58.200 -0.291 0.000 0.995 225 S CB 2.846 65.542 63.200 -0.841 0.000 1.084 225 S HN 0.277 8.681 8.310 0.158 0.000 0.507 226 K N 3.857 124.101 120.400 -0.260 0.000 2.089 226 K HA -0.311 nan 4.320 nan 0.000 0.210 226 K C 1.293 177.727 176.600 -0.276 0.000 1.048 226 K CA 2.754 58.911 56.287 -0.217 0.000 0.926 226 K CB -0.412 31.974 32.500 -0.190 0.000 0.714 226 K HN 0.770 8.861 8.250 -0.266 0.000 0.448 227 S N -3.655 111.785 115.700 -0.433 0.000 2.537 227 S HA -0.143 nan 4.470 nan 0.000 0.240 227 S C 0.393 174.612 174.600 -0.636 0.000 0.981 227 S CA 0.648 58.478 58.200 -0.617 0.000 0.948 227 S CB 0.301 62.857 63.200 -1.074 0.000 0.759 227 S HN -0.158 7.864 8.310 -0.463 0.009 0.531 228 G N -1.101 107.457 108.800 -0.402 0.000 2.157 228 G HA2 -0.314 nan 3.960 nan 0.000 0.239 228 G HA3 -0.314 nan 3.960 nan 0.000 0.239 228 G C -0.438 174.474 174.900 0.020 0.000 0.982 228 G CA 0.161 45.154 45.100 -0.178 0.000 0.650 228 G HN -0.281 7.639 8.290 -0.329 0.173 0.527 229 Y N -1.013 119.306 120.300 0.031 0.000 2.374 229 Y HA 0.293 nan 4.550 nan 0.000 0.322 229 Y C -1.234 174.820 175.900 0.256 0.000 1.275 229 Y CA -3.063 55.114 58.100 0.129 0.000 1.307 229 Y CB 1.084 39.682 38.460 0.231 0.000 1.282 229 Y HN -0.981 7.083 8.280 -0.292 0.041 0.509 230 M N -2.189 117.638 119.600 0.379 0.000 2.631 230 M HA 0.728 nan 4.480 nan 0.000 0.288 230 M C -1.656 174.648 176.300 0.006 0.000 1.260 230 M CA -1.449 53.998 55.300 0.246 0.000 0.842 230 M CB 4.235 36.833 32.600 -0.003 0.000 1.743 230 M HN 0.524 8.951 8.290 0.229 0.000 0.461 231 M N -1.065 118.492 119.600 -0.071 0.000 2.327 231 M HA 0.498 nan 4.480 nan 0.000 0.298 231 M C -1.621 174.725 176.300 0.078 0.000 1.065 231 M CA -1.355 53.892 55.300 -0.088 0.000 0.916 231 M CB 3.772 36.079 32.600 -0.489 0.000 1.630 231 M HN 0.872 9.203 8.290 0.069 0.000 0.442 232 L N 2.550 123.852 121.223 0.132 0.000 2.464 232 L HA 0.168 nan 4.340 nan 0.000 0.264 232 L C -0.912 176.068 176.870 0.184 0.000 1.199 232 L CA -1.312 53.553 54.840 0.042 0.000 0.818 232 L CB -1.101 40.929 42.059 -0.047 0.000 1.102 232 L HN 0.000 8.651 8.230 0.286 -0.249 0.473 233 P HA -0.339 nan 4.420 nan 0.000 0.217 233 P C 1.197 178.621 177.300 0.207 0.000 1.158 233 P CA 3.302 66.578 63.100 0.293 0.000 0.887 233 P CB -0.039 31.799 31.700 0.230 0.000 0.792 234 T N -6.748 107.894 114.554 0.148 0.000 2.833 234 T HA -0.314 nan 4.350 nan 0.000 0.269 234 T C 1.926 176.712 174.700 0.142 0.000 1.054 234 T CA 3.855 66.049 62.100 0.156 0.000 1.135 234 T CB -0.849 68.114 68.868 0.158 0.000 0.869 234 T HN -0.280 8.024 8.240 0.107 0.000 0.466 235 D N 2.265 122.763 120.400 0.164 0.000 2.103 235 D HA -0.184 nan 4.640 nan 0.000 0.199 235 D C 2.049 178.331 176.300 -0.029 0.000 0.978 235 D CA 3.040 57.140 54.000 0.166 0.000 0.829 235 D CB -0.345 40.633 40.800 0.297 0.000 0.981 235 D HN -0.527 7.854 8.370 0.175 0.095 0.464 236 Y N 1.886 122.048 120.300 -0.230 0.000 2.274 236 Y HA -0.415 nan 4.550 nan 0.000 0.290 236 Y C 1.738 177.471 175.900 -0.278 0.000 1.145 236 Y CA 3.227 61.041 58.100 -0.476 0.000 1.203 236 Y CB 0.080 38.011 38.460 -0.883 0.000 0.984 236 Y HN 0.104 8.440 8.280 0.092 0.000 0.533 237 S N 0.661 116.337 115.700 -0.040 0.000 2.407 237 S HA -0.431 nan 4.470 nan 0.000 0.235 237 S C 1.328 175.934 174.600 0.010 0.000 1.036 237 S CA 4.526 62.740 58.200 0.024 0.000 1.013 237 S CB -0.603 62.688 63.200 0.151 0.000 0.820 237 S HN 0.171 8.518 8.310 0.075 0.009 0.476 238 L N -2.475 118.710 121.223 -0.063 0.000 2.362 238 L HA -0.239 nan 4.340 nan 0.000 0.219 238 L C 0.591 177.422 176.870 -0.066 0.000 1.134 238 L CA 2.271 57.094 54.840 -0.029 0.000 0.807 238 L CB -0.187 41.818 42.059 -0.091 0.000 0.927 238 L HN -0.628 7.400 8.230 -0.099 0.142 0.447 239 I N -9.315 111.101 120.570 -0.257 0.000 3.968 239 I HA 0.033 nan 4.170 nan 0.000 0.328 239 I C 0.938 176.913 176.117 -0.237 0.000 1.290 239 I CA 0.664 61.801 61.300 -0.272 0.000 1.163 239 I CB 0.400 38.148 38.000 -0.420 0.000 1.024 239 I HN -0.266 7.678 8.210 -0.394 0.029 0.413 240 Q N 0.333 120.006 119.800 -0.212 0.000 2.212 240 Q HA -0.117 nan 4.340 nan 0.000 0.199 240 Q C 0.375 176.359 176.000 -0.027 0.000 0.950 240 Q CA 1.415 57.156 55.803 -0.102 0.000 0.863 240 Q CB 0.736 29.446 28.738 -0.046 0.000 0.944 240 Q HN -0.578 7.430 8.270 -0.237 0.119 0.465 241 D N 0.096 120.504 120.400 0.013 0.000 2.277 241 D HA 0.317 nan 4.640 nan 0.000 0.249 241 D C -0.942 175.337 176.300 -0.035 0.000 1.134 241 D CA -2.676 51.317 54.000 -0.012 0.000 0.863 241 D CB 2.297 43.077 40.800 -0.032 0.000 1.143 241 D HN -0.524 7.874 8.370 0.047 0.000 0.458 242 P HA -0.142 nan 4.420 nan 0.000 0.217 242 P C 1.353 178.619 177.300 -0.058 0.000 1.150 242 P CA 2.136 65.205 63.100 -0.052 0.000 0.832 242 P CB 0.485 32.156 31.700 -0.048 0.000 0.787 243 K N -1.126 119.215 120.400 -0.098 0.000 2.031 243 K HA -0.205 nan 4.320 nan 0.000 0.205 243 K C 2.842 179.432 176.600 -0.016 0.000 1.049 243 K CA 2.956 59.184 56.287 -0.097 0.000 0.939 243 K CB -0.283 32.115 32.500 -0.171 0.000 0.717 243 K HN -0.641 7.619 8.250 -0.132 -0.090 0.438 244 Y N -1.374 118.901 120.300 -0.041 0.000 2.207 244 Y HA -0.283 nan 4.550 nan 0.000 0.287 244 Y C 2.289 178.143 175.900 -0.077 0.000 1.156 244 Y CA 1.080 59.151 58.100 -0.047 0.000 1.182 244 Y CB -0.563 37.884 38.460 -0.022 0.000 0.979 244 Y HN -0.398 8.110 8.280 -0.148 -0.317 0.521 245 L N -0.968 120.298 121.223 0.072 0.000 2.083 245 L HA -0.374 nan 4.340 nan 0.000 0.209 245 L C 1.371 178.208 176.870 -0.054 0.000 1.083 245 L CA 3.099 57.929 54.840 -0.017 0.000 0.752 245 L CB -0.444 41.590 42.059 -0.042 0.000 0.899 245 L HN 0.036 8.312 8.230 0.076 0.000 0.433 246 S N -0.293 115.373 115.700 -0.057 0.000 2.402 246 S HA -0.300 nan 4.470 nan 0.000 0.229 246 S C 2.153 176.660 174.600 -0.155 0.000 1.021 246 S CA 3.551 61.697 58.200 -0.090 0.000 0.974 246 S CB -0.666 62.488 63.200 -0.077 0.000 0.800 246 S HN -0.499 7.788 8.310 -0.039 0.000 0.484 247 I N 1.632 122.098 120.570 -0.173 0.000 2.233 247 I HA -0.363 nan 4.170 nan 0.000 0.243 247 I C 1.272 177.094 176.117 -0.491 0.000 1.093 247 I CA 3.536 64.614 61.300 -0.371 0.000 1.380 247 I CB -0.213 37.624 38.000 -0.271 0.000 1.067 247 I HN -0.843 7.296 8.210 -0.091 0.016 0.413 248 V N 0.821 120.587 119.914 -0.247 0.000 2.278 248 V HA -0.614 nan 4.120 nan 0.000 0.251 248 V C 2.012 177.976 176.094 -0.216 0.000 1.062 248 V CA 5.012 67.206 62.300 -0.177 0.000 1.038 248 V CB -1.252 30.566 31.823 -0.007 0.000 0.646 248 V HN 0.276 8.390 8.190 -0.128 0.000 0.447 249 K N -2.463 117.837 120.400 -0.167 0.000 2.097 249 K HA -0.388 nan 4.320 nan 0.000 0.206 249 K C 2.144 178.655 176.600 -0.147 0.000 1.049 249 K CA 3.599 59.812 56.287 -0.123 0.000 0.933 249 K CB -0.426 32.019 32.500 -0.092 0.000 0.717 249 K HN -0.237 7.924 8.250 -0.149 0.000 0.442 250 E N 0.076 120.134 120.200 -0.236 0.000 2.077 250 E HA -0.300 nan 4.350 nan 0.000 0.193 250 E C 2.646 179.168 176.600 -0.130 0.000 0.989 250 E CA 3.073 59.340 56.400 -0.221 0.000 0.800 250 E CB 0.004 29.497 29.700 -0.344 0.000 0.746 250 E HN -0.666 7.450 8.360 -0.280 0.076 0.452 251 Y N -2.502 117.620 120.300 -0.297 0.000 2.314 251 Y HA -0.195 nan 4.550 nan 0.000 0.293 251 Y C 1.710 177.430 175.900 -0.299 0.000 1.129 251 Y CA 0.608 58.461 58.100 -0.412 0.000 1.201 251 Y CB -0.565 37.249 38.460 -1.075 0.000 0.999 251 Y HN -0.339 7.608 8.280 -0.554 0.000 0.541 252 A N -1.418 121.351 122.820 -0.084 0.000 1.933 252 A HA -0.170 nan 4.320 nan 0.000 0.218 252 A C 1.084 178.673 177.584 0.008 0.000 1.175 252 A CA 2.183 54.227 52.037 0.012 0.000 0.628 252 A CB -0.082 18.929 19.000 0.017 0.000 0.814 252 A HN -0.177 7.873 8.150 -0.166 0.000 0.444 253 N N -4.135 114.560 118.700 -0.009 0.000 2.422 253 N HA -0.057 nan 4.740 nan 0.000 0.181 253 N C -0.476 175.039 175.510 0.008 0.000 1.080 253 N CA 1.094 54.142 53.050 -0.003 0.000 0.893 253 N CB 1.167 39.645 38.487 -0.015 0.000 0.973 253 N HN -0.485 7.876 8.380 -0.031 0.000 0.456 254 D N -0.229 120.190 120.400 0.032 0.000 2.328 254 D HA 0.274 nan 4.640 nan 0.000 0.243 254 D C -0.957 175.384 176.300 0.067 0.000 1.324 254 D CA -0.600 53.426 54.000 0.043 0.000 0.966 254 D CB 1.093 41.928 40.800 0.059 0.000 1.324 254 D HN -0.544 7.743 8.370 0.042 0.108 0.549 255 Q N 4.902 124.697 119.800 -0.008 0.000 2.124 255 Q HA -0.372 nan 4.340 nan 0.000 0.202 255 Q C 1.152 177.029 176.000 -0.205 0.000 0.977 255 Q CA 3.586 59.340 55.803 -0.081 0.000 0.850 255 Q CB 0.203 28.799 28.738 -0.236 0.000 0.901 255 Q HN 0.511 8.765 8.270 -0.027 0.000 0.429 256 D N -1.623 118.682 120.400 -0.159 0.000 2.144 256 D HA -0.250 nan 4.640 nan 0.000 0.199 256 D C 1.941 178.270 176.300 0.049 0.000 0.984 256 D CA 3.357 57.306 54.000 -0.085 0.000 0.834 256 D CB -0.518 40.259 40.800 -0.038 0.000 0.955 256 D HN -0.292 8.097 8.370 -0.116 -0.088 0.465 257 K N 0.396 120.853 120.400 0.095 0.000 2.025 257 K HA -0.204 nan 4.320 nan 0.000 0.207 257 K C 1.888 178.595 176.600 0.179 0.000 1.049 257 K CA 2.175 58.564 56.287 0.170 0.000 0.933 257 K CB -0.314 32.324 32.500 0.229 0.000 0.714 257 K HN -0.839 7.682 8.250 0.077 -0.225 0.438 258 F N 1.370 121.273 119.950 -0.079 0.000 2.095 258 F HA -0.387 nan 4.527 nan 0.000 0.298 258 F C 1.758 177.603 175.800 0.075 0.000 1.104 258 F CA 2.626 60.357 58.000 -0.450 0.000 1.232 258 F CB -0.248 38.528 39.000 -0.374 0.000 0.987 258 F HN -0.377 8.073 8.300 0.250 0.000 0.475 259 F N -1.359 118.378 119.950 -0.356 0.000 2.095 259 F HA -0.480 nan 4.527 nan 0.000 0.298 259 F C 2.303 178.015 175.800 -0.145 0.000 1.104 259 F CA 2.335 60.149 58.000 -0.310 0.000 1.232 259 F CB -1.113 37.816 39.000 -0.117 0.000 0.987 259 F HN 0.319 8.738 8.300 0.197 0.000 0.475 260 K N -0.814 119.663 120.400 0.128 0.000 2.032 260 K HA -0.382 nan 4.320 nan 0.000 0.209 260 K C 2.364 178.993 176.600 0.048 0.000 1.048 260 K CA 3.691 60.024 56.287 0.076 0.000 0.927 260 K CB -0.457 32.093 32.500 0.083 0.000 0.712 260 K HN -0.112 8.235 8.250 0.161 0.000 0.441 261 D N -0.544 119.892 120.400 0.060 0.000 2.149 261 D HA -0.153 nan 4.640 nan 0.000 0.201 261 D C 2.328 178.646 176.300 0.030 0.000 0.972 261 D CA 2.846 56.890 54.000 0.073 0.000 0.835 261 D CB -0.286 40.625 40.800 0.184 0.000 0.966 261 D HN -0.330 8.084 8.370 0.072 0.000 0.476 262 F N 1.447 121.292 119.950 -0.175 0.000 2.134 262 F HA -0.346 nan 4.527 nan 0.000 0.299 262 F C 1.361 177.097 175.800 -0.106 0.000 1.097 262 F CA 3.203 61.090 58.000 -0.188 0.000 1.264 262 F CB 0.585 39.305 39.000 -0.467 0.000 1.001 262 F HN 0.258 8.433 8.300 -0.033 0.106 0.479 263 S N -0.317 115.352 115.700 -0.052 0.000 2.353 263 S HA -0.437 nan 4.470 nan 0.000 0.222 263 S C 2.352 176.902 174.600 -0.085 0.000 1.035 263 S CA 4.096 62.258 58.200 -0.064 0.000 1.025 263 S CB -0.335 62.853 63.200 -0.020 0.000 0.902 263 S HN -0.076 8.249 8.310 0.025 0.000 0.440 264 K N 0.322 120.686 120.400 -0.060 0.000 2.032 264 K HA -0.334 nan 4.320 nan 0.000 0.209 264 K C 2.219 178.775 176.600 -0.074 0.000 1.048 264 K CA 3.171 59.426 56.287 -0.053 0.000 0.927 264 K CB -0.102 32.385 32.500 -0.022 0.000 0.712 264 K HN -0.546 7.683 8.250 -0.036 0.000 0.441 265 A N -1.200 121.559 122.820 -0.103 0.000 1.968 265 A HA -0.115 nan 4.320 nan 0.000 0.217 265 A C 2.105 179.623 177.584 -0.109 0.000 1.169 265 A CA 2.774 54.752 52.037 -0.099 0.000 0.638 265 A CB -0.650 18.291 19.000 -0.099 0.000 0.812 265 A HN -0.221 7.866 8.150 -0.104 0.000 0.446 266 F N -0.110 119.562 119.950 -0.464 0.000 2.163 266 F HA -0.300 nan 4.527 nan 0.000 0.297 266 F C 1.279 176.973 175.800 -0.176 0.000 1.094 266 F CA 2.230 59.974 58.000 -0.426 0.000 1.290 266 F CB 0.473 38.998 39.000 -0.792 0.000 1.017 266 F HN 0.265 8.367 8.300 -0.329 0.000 0.483 267 E N 0.031 120.154 120.200 -0.128 0.000 2.051 267 E HA -0.533 nan 4.350 nan 0.000 0.192 267 E C 1.830 178.339 176.600 -0.153 0.000 0.991 267 E CA 3.496 59.806 56.400 -0.151 0.000 0.799 267 E CB -0.191 29.450 29.700 -0.097 0.000 0.748 267 E HN -0.321 7.998 8.360 -0.068 0.000 0.449 268 K N -0.944 119.388 120.400 -0.112 0.000 2.074 268 K HA -0.339 nan 4.320 nan 0.000 0.209 268 K C 2.395 178.933 176.600 -0.104 0.000 1.048 268 K CA 3.053 59.282 56.287 -0.095 0.000 0.926 268 K CB -0.073 32.395 32.500 -0.053 0.000 0.713 268 K HN -0.594 7.598 8.250 -0.096 0.000 0.444 269 L N -1.540 119.642 121.223 -0.068 0.000 2.046 269 L HA -0.288 nan 4.340 nan 0.000 0.208 269 L C 1.538 178.357 176.870 -0.086 0.000 1.077 269 L CA 2.941 57.777 54.840 -0.007 0.000 0.747 269 L CB -0.003 42.124 42.059 0.112 0.000 0.896 269 L HN -0.379 7.814 8.230 -0.062 0.000 0.432 270 L N -4.614 116.497 121.223 -0.187 0.000 2.291 270 L HA -0.252 nan 4.340 nan 0.000 0.214 270 L C 2.132 178.928 176.870 -0.122 0.000 1.120 270 L CA 2.236 56.975 54.840 -0.167 0.000 0.799 270 L CB -0.024 41.897 42.059 -0.231 0.000 0.925 270 L HN -0.403 7.671 8.230 -0.259 0.000 0.446 271 E N -2.344 117.775 120.200 -0.136 0.000 2.474 271 E HA -0.065 nan 4.350 nan 0.000 0.195 271 E C -0.126 176.343 176.600 -0.219 0.000 1.039 271 E CA -0.067 56.286 56.400 -0.078 0.000 0.881 271 E CB 0.299 29.995 29.700 -0.006 0.000 0.970 271 E HN -0.195 7.934 8.360 -0.153 0.139 0.486 272 N N 0.836 119.287 118.700 -0.415 0.000 2.411 272 N HA -0.234 nan 4.740 nan 0.000 0.261 272 N C 0.166 174.981 175.510 -1.158 0.000 1.248 272 N CA 1.829 54.322 53.050 -0.929 0.000 0.885 272 N CB -0.195 37.515 38.487 -1.294 0.000 1.062 272 N HN -0.542 7.648 8.380 -0.317 0.000 0.471 273 G N -0.223 107.972 108.800 -1.007 0.000 2.175 273 G HA2 -0.360 nan 3.960 nan 0.000 0.244 273 G HA3 -0.360 nan 3.960 nan 0.000 0.244 273 G C -1.206 173.583 174.900 -0.185 0.000 0.982 273 G CA 0.509 45.378 45.100 -0.385 0.000 0.641 273 G HN 0.326 8.092 8.290 -0.874 0.000 0.527 274 I N 0.799 121.176 120.570 -0.322 0.000 2.378 274 I HA 0.280 nan 4.170 nan 0.000 0.291 274 I C -1.052 174.743 176.117 -0.537 0.000 0.992 274 I CA -1.426 59.596 61.300 -0.464 0.000 1.154 274 I CB 0.876 38.545 38.000 -0.551 0.000 1.315 274 I HN -0.637 7.310 8.210 -0.347 0.055 0.448 275 T N 8.766 123.028 114.554 -0.488 0.000 2.771 275 T HA 0.311 nan 4.350 nan 0.000 0.291 275 T C -1.224 173.196 174.700 -0.466 0.000 0.954 275 T CA -0.250 61.643 62.100 -0.345 0.000 1.045 275 T CB 0.471 69.219 68.868 -0.200 0.000 0.917 275 T HN 0.648 8.626 8.240 -0.438 0.000 0.484 276 F N 6.284 126.188 119.950 -0.077 0.000 2.388 276 F HA 0.349 nan 4.527 nan 0.000 0.358 276 F C -1.465 174.296 175.800 -0.064 0.000 1.122 276 F CA -3.467 54.484 58.000 -0.080 0.000 1.056 276 F CB 0.402 39.331 39.000 -0.118 0.000 1.155 276 F HN 0.251 8.582 8.300 0.053 0.000 0.461 277 P HA 0.089 nan 4.420 nan 0.000 0.272 277 P C 0.020 177.344 177.300 0.042 0.000 1.223 277 P CA -0.852 62.274 63.100 0.044 0.000 0.784 277 P CB 0.883 32.602 31.700 0.031 0.000 0.923 278 K N 1.396 121.807 120.400 0.019 0.000 2.525 278 K HA -0.101 nan 4.320 nan 0.000 0.192 278 K C -0.294 176.305 176.600 -0.002 0.000 1.029 278 K CA 1.658 57.946 56.287 0.003 0.000 1.029 278 K CB -0.177 32.319 32.500 -0.006 0.000 0.814 278 K HN 0.409 8.668 8.250 0.014 0.000 0.503 279 D N -2.761 117.644 120.400 0.009 0.000 2.317 279 D HA -0.131 nan 4.640 nan 0.000 0.211 279 D C -0.475 175.831 176.300 0.009 0.000 0.966 279 D CA -0.037 53.969 54.000 0.009 0.000 0.876 279 D CB -0.333 40.477 40.800 0.017 0.000 0.927 279 D HN -0.268 8.067 8.370 0.014 0.044 0.519 280 A N 2.031 124.858 122.820 0.012 0.000 2.531 280 A HA -0.000 nan 4.320 nan 0.000 0.236 280 A C -1.296 176.250 177.584 -0.064 0.000 1.062 280 A CA -1.452 50.585 52.037 0.000 0.000 0.760 280 A CB -0.678 18.348 19.000 0.043 0.000 0.995 280 A HN -0.493 7.506 8.150 0.022 0.164 0.501 281 P HA -0.095 nan 4.420 nan 0.000 0.265 281 P C -1.120 176.003 177.300 -0.294 0.000 1.187 281 P CA -0.236 62.774 63.100 -0.151 0.000 0.766 281 P CB 0.575 32.199 31.700 -0.128 0.000 0.820 282 S N 2.994 118.549 115.700 -0.242 0.000 2.560 282 S HA -0.063 nan 4.470 nan 0.000 0.276 282 S C -1.149 173.180 174.600 -0.452 0.000 1.350 282 S CA -0.015 58.015 58.200 -0.284 0.000 1.024 282 S CB -0.747 62.344 63.200 -0.181 0.000 0.864 282 S HN -0.049 8.171 8.310 -0.150 0.000 0.536 283 P HA -0.031 nan 4.420 nan 0.000 0.264 283 P C -1.251 175.872 177.300 -0.294 0.000 1.193 283 P CA 0.027 62.855 63.100 -0.453 0.000 0.763 283 P CB 0.338 31.834 31.700 -0.341 0.000 0.810 284 F N 3.892 123.716 119.950 -0.211 0.000 2.443 284 F HA 0.024 nan 4.527 nan 0.000 0.353 284 F C -0.158 175.365 175.800 -0.462 0.000 1.101 284 F CA -0.961 56.841 58.000 -0.330 0.000 1.226 284 F CB 0.738 39.533 39.000 -0.341 0.000 1.140 284 F HN 0.494 8.546 8.300 -0.414 0.000 0.557 285 I N 3.528 123.952 120.570 -0.243 0.000 2.330 285 I HA 0.143 nan 4.170 nan 0.000 0.286 285 I C -1.008 174.972 176.117 -0.228 0.000 1.025 285 I CA -1.574 59.598 61.300 -0.213 0.000 1.197 285 I CB -0.338 37.589 38.000 -0.122 0.000 1.358 285 I HN 0.546 8.623 8.210 -0.222 0.000 0.467 286 F N 6.835 126.823 119.950 0.063 0.000 2.399 286 F HA 0.118 nan 4.527 nan 0.000 0.342 286 F C -0.250 175.375 175.800 -0.291 0.000 1.106 286 F CA -0.990 56.914 58.000 -0.160 0.000 1.196 286 F CB 0.457 39.108 39.000 -0.582 0.000 1.163 286 F HN 0.484 8.702 8.300 -0.136 0.000 0.547 287 K N 4.080 124.449 120.400 -0.052 0.000 2.326 287 K HA 0.042 nan 4.320 nan 0.000 0.275 287 K C 0.109 176.588 176.600 -0.202 0.000 1.018 287 K CA 0.568 56.803 56.287 -0.088 0.000 0.962 287 K CB 0.472 32.967 32.500 -0.008 0.000 0.953 287 K HN -0.085 8.227 8.250 0.103 0.000 0.475 288 T N -2.358 112.187 114.554 -0.015 0.000 2.766 288 T HA 0.146 nan 4.350 nan 0.000 0.295 288 T C 1.531 176.310 174.700 0.132 0.000 1.024 288 T CA -0.957 61.225 62.100 0.137 0.000 1.018 288 T CB 1.276 70.228 68.868 0.140 0.000 1.002 288 T HN 0.132 8.733 8.240 0.014 -0.352 0.532 289 L N 0.627 121.960 121.223 0.184 0.000 2.081 289 L HA -0.439 nan 4.340 nan 0.000 0.212 289 L C 2.039 178.955 176.870 0.078 0.000 1.080 289 L CA 3.777 58.687 54.840 0.116 0.000 0.754 289 L CB -0.520 41.603 42.059 0.106 0.000 0.893 289 L HN -0.100 8.522 8.230 0.261 -0.236 0.433 290 E N -1.082 119.165 120.200 0.079 0.000 2.072 290 E HA -0.341 nan 4.350 nan 0.000 0.191 290 E C 2.770 179.401 176.600 0.051 0.000 0.985 290 E CA 3.003 59.440 56.400 0.062 0.000 0.801 290 E CB -0.536 29.203 29.700 0.064 0.000 0.750 290 E HN 0.211 8.615 8.360 0.095 0.013 0.452 291 E N -1.851 118.380 120.200 0.051 0.000 2.204 291 E HA -0.201 nan 4.350 nan 0.000 0.194 291 E C 1.426 178.046 176.600 0.034 0.000 0.989 291 E CA 2.007 58.431 56.400 0.039 0.000 0.824 291 E CB -0.120 29.600 29.700 0.033 0.000 0.756 291 E HN -0.533 7.767 8.360 0.060 0.096 0.477 292 Q N -3.178 116.644 119.800 0.037 0.000 2.360 292 Q HA 0.011 nan 4.340 nan 0.000 0.202 292 Q C 0.588 176.608 176.000 0.032 0.000 0.915 292 Q CA -0.320 55.502 55.803 0.033 0.000 0.943 292 Q CB 0.704 29.460 28.738 0.031 0.000 1.064 292 Q HN -0.556 7.601 8.270 0.044 0.139 0.511 293 G N -1.292 107.530 108.800 0.035 0.000 2.176 293 G HA2 -0.388 nan 3.960 nan 0.000 0.252 293 G HA3 -0.388 nan 3.960 nan 0.000 0.252 293 G C -0.795 174.125 174.900 0.033 0.000 1.024 293 G CA 0.569 45.688 45.100 0.033 0.000 0.755 293 G HN -0.474 7.664 8.290 0.039 0.175 0.507 294 L N 0.000 121.247 121.223 0.039 0.000 2.949 294 L HA 0.000 nan 4.340 nan 0.000 0.249 294 L CA 0.000 54.863 54.840 0.039 0.000 0.813 294 L CB 0.000 42.084 42.059 0.042 0.000 0.961 294 L HN 0.000 8.141 8.230 0.045 0.115 0.502